N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide

C16H21N7O2 — CID 56703669

IUPACN-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C(=O)Cn3cccn3)CC2)nn1
InChIInChI=1S/C16H21N7O2/c24-15(11-22-7-1-6-17-22)21-8-4-13(5-9-21)23-10-14(19-20-23)16(25)18-12-2-3-12/h1,6-7,10,12-13H,2-5,8-9,11H2,(H,18,25)
InChIKeyDCRKPPMHDKLIKF-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.23
Rot. Bonds5

About N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide

N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56703669) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56703669
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C(=O)Cn3cccn3)CC2)nn1
InChIInChI=1S/C16H21N7O2/c24-15(11-22-7-1-6-17-22)21-8-4-13(5-9-21)23-10-14(19-20-23)16(25)18-12-2-3-12/h1,6-7,10,12-13H,2-5,8-9,11H2,(H,18,25)
InChIKeyDCRKPPMHDKLIKF-UHFFFAOYSA-N
XLogP0.23
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26347462
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-cyclopropyl-1-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56708665
1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide (CID 56703669) is N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(C2CCN(C(=O)Cn3cccn3)CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is DCRKPPMHDKLIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-15(11-22-7-1-6-17-22)21-8-4-13(5-9-21)23-10-14(19-20-23)16(25)18-12-2-3-12/h1,6-7,10,12-13H,2-5,8-9,11H2,(H,18,25).
What are the key properties of N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide?
N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56703669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).