N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide

C21H25ClN4O — CID 42806599

IUPACN-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESC=CCN1CCc2c(c(CN(C)C(=O)C3CC3)nn2-c2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN4O/c1-3-11-25-12-10-19-16(13-25)18(14-24(2)21(27)15-8-9-15)23-26(19)20-7-5-4-6-17(20)22/h3-7,15H,1,8-14H2,2H3
InChIKeyNVCMYYZPQZWVOI-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.44
Rot. Bonds6

About N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide

N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide (PubChem CID 42806599) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide
PubChem CID42806599
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESC=CCN1CCc2c(c(CN(C)C(=O)C3CC3)nn2-c2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN4O/c1-3-11-25-12-10-19-16(13-25)18(14-24(2)21(27)15-8-9-15)23-26(19)20-7-5-4-6-17(20)22/h3-7,15H,1,8-14H2,2H3
InChIKeyNVCMYYZPQZWVOI-UHFFFAOYSA-N
XLogP3.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide with MolForge

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Related Compounds

3-tert-butyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806478
N-[[5-benzyl-1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(cyclopropylmethyl)-2,2-dimethylpropanamide
CID 42872669
N-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42871576
1-(2-methoxyethyl)-1-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-phenylurea
CID 42871788
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
3-cyclohexyl-1-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-methylurea
CID 42871811
N-[[5-[(3-chlorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42801989
N-(cyclopropylmethyl)-4-fluoro-N-[[1-(2-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42871559
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 42801982
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 42808654
N-[[5-[(2-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxy-N-methylacetamide
CID 42871607

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide (CID 42806599) is N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide is C=CCN1CCc2c(c(CN(C)C(=O)C3CC3)nn2-c2ccccc2Cl)C1.
What is the InChIKey of N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
The InChIKey is NVCMYYZPQZWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-3-11-25-12-10-19-16(13-25)18(14-24(2)21(27)15-8-9-15)23-26(19)20-7-5-4-6-17(20)22/h3-7,15H,1,8-14H2,2H3.
What are the key properties of N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide?
N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 42806599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).