N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide

C24H36N4O — CID 42806543

IUPACN,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide
SMILESCCCN1CCc2c(c(CN(C)C(=O)CC(C)(C)C)nn2-c2ccc(C)cc2)C1
InChIInChI=1S/C24H36N4O/c1-7-13-27-14-12-22-20(16-27)21(17-26(6)23(29)15-24(3,4)5)25-28(22)19-10-8-18(2)9-11-19/h8-11H,7,12-17H2,1-6H3
InChIKeyRZQASKDEXMZIMA-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.34
Rot. Bonds6

About N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide

N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide (PubChem CID 42806543) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide
PubChem CID42806543
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide
SMILESCCCN1CCc2c(c(CN(C)C(=O)CC(C)(C)C)nn2-c2ccc(C)cc2)C1
InChIInChI=1S/C24H36N4O/c1-7-13-27-14-12-22-20(16-27)21(17-26(6)23(29)15-24(3,4)5)25-28(22)19-10-8-18(2)9-11-19/h8-11H,7,12-17H2,1-6H3
InChIKeyRZQASKDEXMZIMA-UHFFFAOYSA-N
XLogP4.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42871530
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-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
CID 42806556
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 42871669
N-[(5-benzyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-ethylacetamide
CID 42808543
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
N-ethyl-N-[[1-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methoxyacetamide
CID 42801915
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
2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871636
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-(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-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide?
The IUPAC name of 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) is N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide.
What is the SMILES notation for N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide?
The canonical SMILES for N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide is CCCN1CCc2c(c(CN(C)C(=O)CC(C)(C)C)nn2-c2ccc(C)cc2)C1.
What is the InChIKey of N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide?
The InChIKey is RZQASKDEXMZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-7-13-27-14-12-22-20(16-27)21(17-26(6)23(29)15-24(3,4)5)25-28(22)19-10-8-18(2)9-11-19/h8-11H,7,12-17H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide?
N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide has a molecular weight of 396.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[1-(4-methylphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]butanamide is sourced from PubChem (CID 42806543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).