4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide

C12H13N5O — CID 176705554

IUPAC4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESNc1cn(-c2cccnc2)nc1C(=O)NC1CC1
InChIInChI=1S/C12H13N5O/c13-10-7-17(9-2-1-5-14-6-9)16-11(10)12(18)15-8-3-4-8/h1-2,5-8H,3-4,13H2,(H,15,18)
InChIKeyNWWBOLYLYIETNJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.74
Rot. Bonds3

About 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide

4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 176705554) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID176705554
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESNc1cn(-c2cccnc2)nc1C(=O)NC1CC1
InChIInChI=1S/C12H13N5O/c13-10-7-17(9-2-1-5-14-6-9)16-11(10)12(18)15-8-3-4-8/h1-2,5-8H,3-4,13H2,(H,15,18)
InChIKeyNWWBOLYLYIETNJ-UHFFFAOYSA-N
XLogP0.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705477
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
N-cyclohexyl-2-pyridin-3-ylindazole-3-carboxamide
CID 172690022
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
N-[4-(imidazole-1-carbonylamino)cyclohexyl]pyridine-3-carboxamide
CID 70020378
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide (CID 176705554) is 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide is Nc1cn(-c2cccnc2)nc1C(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is NWWBOLYLYIETNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-10-7-17(9-2-1-5-14-6-9)16-11(10)12(18)15-8-3-4-8/h1-2,5-8H,3-4,13H2,(H,15,18).
What are the key properties of 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide?
4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 176705554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).