N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C17H22N4O2 — CID 119575055

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)NC(C)(CN)C3CC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-17(11-18,12-3-4-12)19-16(22)15-9-10-21(20-15)13-5-7-14(23-2)8-6-13/h5-10,12H,3-4,11,18H2,1-2H3,(H,19,22)
InChIKeyLIWUYPIDOHLSTE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 119575055) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID119575055
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)NC(C)(CN)C3CC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-17(11-18,12-3-4-12)19-16(22)15-9-10-21(20-15)13-5-7-14(23-2)8-6-13/h5-10,12H,3-4,11,18H2,1-2H3,(H,19,22)
InChIKeyLIWUYPIDOHLSTE-UHFFFAOYSA-N
XLogP1.74
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 119575055) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(-n2ccc(C(=O)NC(C)(CN)C3CC3)n2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is LIWUYPIDOHLSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(11-18,12-3-4-12)19-16(22)15-9-10-21(20-15)13-5-7-14(23-2)8-6-13/h5-10,12H,3-4,11,18H2,1-2H3,(H,19,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119575055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).