N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide

C14H18N4O — CID 119525053

IUPACN-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,10-15)16-13(19)12-8-9-18(17-12)11-6-4-3-5-7-11/h3-9H,10,15H2,1-2H3,(H,16,19)
InChIKeyVHBXNBQSZHGOBP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 119525053) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID119525053
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,10-15)16-13(19)12-8-9-18(17-12)11-6-4-3-5-7-11/h3-9H,10,15H2,1-2H3,(H,16,19)
InChIKeyVHBXNBQSZHGOBP-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide (CID 119525053) is N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide is CC(C)(CN)NC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is VHBXNBQSZHGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,10-15)16-13(19)12-8-9-18(17-12)11-6-4-3-5-7-11/h3-9H,10,15H2,1-2H3,(H,16,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119525053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).