4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide

C15H18N4O — CID 107863851

IUPAC4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c(C2CC2)c1N)c1ccccc1
InChIInChI=1S/C15H18N4O/c1-9(10-5-3-2-4-6-10)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h2-6,9,11H,7-8,16H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyKPKKYRMXMNVBOQ-SECBINFHSA-N
MW270.34 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 107863851) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
PubChem CID107863851
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c(C2CC2)c1N)c1ccccc1
InChIInChI=1S/C15H18N4O/c1-9(10-5-3-2-4-6-10)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h2-6,9,11H,7-8,16H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyKPKKYRMXMNVBOQ-SECBINFHSA-N
XLogP2.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
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4-amino-5-cyclopropyl-N-(2-methylcyclopropyl)-1H-pyrazole-3-carboxamide
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4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide (CID 107863851) is 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide is C[C@@H](NC(=O)c1n[nH]c(C2CC2)c1N)c1ccccc1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KPKKYRMXMNVBOQ-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(10-5-3-2-4-6-10)17-15(20)14-12(16)13(18-19-14)11-7-8-11/h2-6,9,11H,7-8,16H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107863851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).