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

C19H19N7O2 — CID 71538763

IUPAC1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide
SMILESCc1nnc(-c2ccc(Nc3nn(C(CC#N)C4CC4)cc3C(N)=O)cc2)o1
InChIInChI=1S/C19H19N7O2/c1-11-23-24-19(28-11)13-4-6-14(7-5-13)22-18-15(17(21)27)10-26(25-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,22,25)
InChIKeyOEQYICDHHVPBGX-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.95
Rot. Bonds7

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

1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide (PubChem CID 71538763) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide
PubChem CID71538763
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide
SMILESCc1nnc(-c2ccc(Nc3nn(C(CC#N)C4CC4)cc3C(N)=O)cc2)o1
InChIInChI=1S/C19H19N7O2/c1-11-23-24-19(28-11)13-4-6-14(7-5-13)22-18-15(17(21)27)10-26(25-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,22,25)
InChIKeyOEQYICDHHVPBGX-UHFFFAOYSA-N
XLogP2.95
TPSA135.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Related Compounds

1-[(1S)-2-cyano-1-piperidin-1-ium-4-ylethyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 140650157
3-(3,7b-dihydrooxazireno[3,2-a]isoindol-5-ylamino)-1-(2-cyano-1-cyclopropylethyl)pyrazole-4-carboxamide
CID 71534830
1-(2-cyano-1-cyclopropylethyl)-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 71538223
tert-butyl 4-[1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]piperidine-1-carboxylate
CID 71537074
2-methoxyethyl 4-[(1S)-1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]piperidine-1-carboxylate
CID 86729458
tert-butyl 4-[(1R)-1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]piperidine-1-carboxylate
CID 71535990
4-[1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]-2-ethylpiperidine-1-carboxylic acid
CID 122505386
cyclobutyl 4-[1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]piperidine-1-carboxylate
CID 89461781
4-[(1S)-1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]-2-(2-methoxyethyl)piperidine-1-carboxylic acid
CID 122505398
2-benzyl-4-[1-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanoethyl]piperidine-1-carboxylic acid
CID 122505387
1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[[(3Z)-5-methylsulfonylhexa-1,3,5-trien-2-yl]amino]pyrazole-4-carboxamide
CID 89473269
1-(2-cyano-1-cyclopropylethyl)-3-[4-[[1-(2-cyano-1-cyclopropylethyl)-3-[4-[[[1-(2-cyano-1-cyclopropylethyl)-3-[4-(dimethylsulfamoyl)anilino]pyrazole-4-carbonyl]amino]sulfamoyl]anilino]pyrazole-4-carbonyl]amino]-2-fluoroanilino]pyrazole-4-carboxamide
CID 123823047

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide (CID 71538763) is 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide is Cc1nnc(-c2ccc(Nc3nn(C(CC#N)C4CC4)cc3C(N)=O)cc2)o1.
What is the InChIKey of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide?
The InChIKey is OEQYICDHHVPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-23-24-19(28-11)13-4-6-14(7-5-13)22-18-15(17(21)27)10-26(25-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,22,25).
What are the key properties of 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide?
1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-1-cyclopropylethyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]pyrazole-4-carboxamide is sourced from PubChem (CID 71538763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).