3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C18H21N7O — CID 118761559

IUPAC3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cn3cncn3)c1)CC2
InChIInChI=1S/C18H21N7O/c1-2-16-15-10-24(7-6-17(15)23-22-16)18(26)21-14-5-3-4-13(8-14)9-25-12-19-11-20-25/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,21,26)(H,22,23)
InChIKeyGTGYEWQOBXKVTD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.20
Rot. Bonds4

About 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 118761559) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID118761559
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cn3cncn3)c1)CC2
InChIInChI=1S/C18H21N7O/c1-2-16-15-10-24(7-6-17(15)23-22-16)18(26)21-14-5-3-4-13(8-14)9-25-12-19-11-20-25/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,21,26)(H,22,23)
InChIKeyGTGYEWQOBXKVTD-UHFFFAOYSA-N
XLogP2.20
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435525
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 118761559) is 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cn3cncn3)c1)CC2.
What is the InChIKey of 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is GTGYEWQOBXKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-2-16-15-10-24(7-6-17(15)23-22-16)18(26)21-14-5-3-4-13(8-14)9-25-12-19-11-20-25/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 118761559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).