N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide

C23H31ClN4O — CID 42806556

IUPACN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
SMILESCCCN1CCc2c(c(CN(C(=O)C(C)C)C3CC3)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C23H31ClN4O/c1-4-11-26-12-10-22-20(14-26)21(15-27(18-8-9-18)23(29)16(2)3)25-28(22)19-7-5-6-17(24)13-19/h5-7,13,16,18H,4,8-12,14-15H2,1-3H3
InChIKeyCIQJJCIMLYDRHW-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.44
Rot. Bonds7

About N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide

N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 42806556) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
PubChem CID42806556
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC NameN-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
SMILESCCCN1CCc2c(c(CN(C(=O)C(C)C)C3CC3)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C23H31ClN4O/c1-4-11-26-12-10-22-20(14-26)21(15-27(18-8-9-18)23(29)16(2)3)25-28(22)19-7-5-6-17(24)13-19/h5-7,13,16,18H,4,8-12,14-15H2,1-3H3
InChIKeyCIQJJCIMLYDRHW-UHFFFAOYSA-N
XLogP4.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 42871669
1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
CID 42806494
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
N-[[1-(3-chlorophenyl)-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42871544
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-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 42806590
N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
CID 42871700
3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806490
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide
CID 42806543
N-[[5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methylpropane-2-sulfonamide
CID 42806439
N-cyclopropyl-2-methoxy-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42872572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide (CID 42806556) is N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide is CCCN1CCc2c(c(CN(C(=O)C(C)C)C3CC3)nn2-c2cccc(Cl)c2)C1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is CIQJJCIMLYDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c1-4-11-26-12-10-22-20(14-26)21(15-27(18-8-9-18)23(29)16(2)3)25-28(22)19-7-5-6-17(24)13-19/h5-7,13,16,18H,4,8-12,14-15H2,1-3H3.
What are the key properties of N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide?
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 414.98 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 42806556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).