N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide

C19H19N7O2 — CID 89462271

IUPACN-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc(Nc3[nH]ncc3C(=O)NC(CC#N)C3CC3)cc2)n1
InChIInChI=1S/C19H19N7O2/c1-11-22-19(28-26-11)13-4-6-14(7-5-13)23-17-15(10-21-25-17)18(27)24-16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H,24,27)(H2,21,23,25)
InChIKeyDJWDZFJNXYHLRO-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.93
Rot. Bonds7

About N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide

N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 89462271) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID89462271
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc(Nc3[nH]ncc3C(=O)NC(CC#N)C3CC3)cc2)n1
InChIInChI=1S/C19H19N7O2/c1-11-22-19(28-26-11)13-4-6-14(7-5-13)23-17-15(10-21-25-17)18(27)24-16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H,24,27)(H2,21,23,25)
InChIKeyDJWDZFJNXYHLRO-UHFFFAOYSA-N
XLogP2.93
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide (CID 89462271) is N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide is Cc1noc(-c2ccc(Nc3[nH]ncc3C(=O)NC(CC#N)C3CC3)cc2)n1.
What is the InChIKey of N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is DJWDZFJNXYHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-22-19(28-26-11)13-4-6-14(7-5-13)23-17-15(10-21-25-17)18(27)24-16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H,24,27)(H2,21,23,25).
What are the key properties of N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide?
N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-cyclopropylethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89462271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).