1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide

C19H20N6O — CID 71534533

IUPAC1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide
SMILESN#CCCc1cccc(Nc2nn(C(CC#N)C3CC3)cc2C(N)=O)c1
InChIInChI=1S/C19H20N6O/c20-9-2-4-13-3-1-5-15(11-13)23-19-16(18(22)26)12-25(24-19)17(8-10-21)14-6-7-14/h1,3,5,11-12,14,17H,2,4,6-8H2,(H2,22,26)(H,23,24)
InChIKeyFVZBHLBCUNNYJH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.05
Rot. Bonds8

About 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide

1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide (PubChem CID 71534533) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide
PubChem CID71534533
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide
SMILESN#CCCc1cccc(Nc2nn(C(CC#N)C3CC3)cc2C(N)=O)c1
InChIInChI=1S/C19H20N6O/c20-9-2-4-13-3-1-5-15(11-13)23-19-16(18(22)26)12-25(24-19)17(8-10-21)14-6-7-14/h1,3,5,11-12,14,17H,2,4,6-8H2,(H2,22,26)(H,23,24)
InChIKeyFVZBHLBCUNNYJH-UHFFFAOYSA-N
XLogP3.05
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyanoanilino)-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89470642
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
3-(4-chloroanilino)-1-[(1S,2S,4S)-2-cyano-4-(dimethylamino)cyclohexyl]pyrazole-4-carboxamide
CID 90367281
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(3,4-dicyanoanilino)pyrazole-4-carboxamide
CID 137634461
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[4-(1-methylpyrazol-4-yl)anilino]pyrazole-4-carboxamide
CID 137651256
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-cyclopropylanilino)pyrazole-4-carboxamide
CID 137651481
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 137658028
3-anilino-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471082
1-(2-cyanocyclopentyl)-3-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]pyrazole-4-carboxamide
CID 164800541
1-[4-(Cyanomethyl)-1-(3-fluorophenyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534524

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide (CID 71534533) is 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide is N#CCCc1cccc(Nc2nn(C(CC#N)C3CC3)cc2C(N)=O)c1.
What is the InChIKey of 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide?
The InChIKey is FVZBHLBCUNNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-9-2-4-13-3-1-5-15(11-13)23-19-16(18(22)26)12-25(24-19)17(8-10-21)14-6-7-14/h1,3,5,11-12,14,17H,2,4,6-8H2,(H2,22,26)(H,23,24).
What are the key properties of 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide?
1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-1-cyclopropylethyl)-3-[3-(2-cyanoethyl)anilino]pyrazole-4-carboxamide is sourced from PubChem (CID 71534533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).