5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile

C15H14N4O2 — CID 51100209

IUPAC5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccc(OCC3CC3)cc2)c1N
InChIInChI=1S/C15H14N4O2/c16-7-12-8-18-19(14(12)17)15(20)11-3-5-13(6-4-11)21-9-10-1-2-10/h3-6,8,10H,1-2,9,17H2
InChIKeyJMYVNHFEPXLPFF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.81
Rot. Bonds4

About 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile

5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile (PubChem CID 51100209) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile
PubChem CID51100209
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccc(OCC3CC3)cc2)c1N
InChIInChI=1S/C15H14N4O2/c16-7-12-8-18-19(14(12)17)15(20)11-3-5-13(6-4-11)21-9-10-1-2-10/h3-6,8,10H,1-2,9,17H2
InChIKeyJMYVNHFEPXLPFF-UHFFFAOYSA-N
XLogP1.81
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide
CID 130778595
5-amino-1-(4-ethyl-3-nitrobenzoyl)pyrazole-4-carbonitrile
CID 71865856
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
CID 154759205
5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile
CID 51100200
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
1-(4-chlorobenzoyl)-5-cyclopropylpyrazole-4-carbonitrile
CID 2822903
5-amino-1-[2-(3-methylphenoxy)acetyl]pyrazole-4-carbonitrile
CID 51178953
N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide
CID 47568459
(2R)-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370683
5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile
CID 167746034
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile (CID 51100209) is 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)c2ccc(OCC3CC3)cc2)c1N.
What is the InChIKey of 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile?
The InChIKey is JMYVNHFEPXLPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-7-12-8-18-19(14(12)17)15(20)11-3-5-13(6-4-11)21-9-10-1-2-10/h3-6,8,10H,1-2,9,17H2.
What are the key properties of 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile?
5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(cyclopropylmethoxy)benzoyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 51100209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).