5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H28N4O2 — CID 77094507

IUPAC5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccc1OC1CCCC1)CC2
InChIInChI=1S/C21H28N4O2/c1-24(2)21(26)20-17-14-25(12-11-18(17)22-23-20)13-15-7-3-6-10-19(15)27-16-8-4-5-9-16/h3,6-7,10,16H,4-5,8-9,11-14H2,1-2H3,(H,22,23)
InChIKeyOUSGOSSHVDKNBV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.99
Rot. Bonds5

About 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 77094507) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID77094507
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccc1OC1CCCC1)CC2
InChIInChI=1S/C21H28N4O2/c1-24(2)21(26)20-17-14-25(12-11-18(17)22-23-20)13-15-7-3-6-10-19(15)27-16-8-4-5-9-16/h3,6-7,10,16H,4-5,8-9,11-14H2,1-2H3,(H,22,23)
InChIKeyOUSGOSSHVDKNBV-UHFFFAOYSA-N
XLogP2.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97285403
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461839
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042861
1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46963129
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094255
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914409
(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 97268153
methyl 5-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 97275095

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 77094507) is 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccc1OC1CCCC1)CC2.
What is the InChIKey of 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OUSGOSSHVDKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24(2)21(26)20-17-14-25(12-11-18(17)22-23-20)13-15-7-3-6-10-19(15)27-16-8-4-5-9-16/h3,6-7,10,16H,4-5,8-9,11-14H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 77094507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).