4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

C14H17N5O — CID 62075948

IUPAC4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c(C2CC2)c1N)c1cccnc1
InChIInChI=1S/C14H17N5O/c1-8(10-3-2-6-16-7-10)17-14(20)13-11(15)12(18-19-13)9-4-5-9/h2-3,6-9H,4-5,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyDQVZXOMRGVYMBJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.76
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075948) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID62075948
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c(C2CC2)c1N)c1cccnc1
InChIInChI=1S/C14H17N5O/c1-8(10-3-2-6-16-7-10)17-14(20)13-11(15)12(18-19-13)9-4-5-9/h2-3,6-9H,4-5,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyDQVZXOMRGVYMBJ-UHFFFAOYSA-N
XLogP1.76
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (CID 62075948) is 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is CC(NC(=O)c1n[nH]c(C2CC2)c1N)c1cccnc1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DQVZXOMRGVYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(10-3-2-6-16-7-10)17-14(20)13-11(15)12(18-19-13)9-4-5-9/h2-3,6-9H,4-5,15H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).