5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide

C14H17FN4O — CID 82546188

IUPAC5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(C)(C)c2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-14(2,9-4-6-10(15)7-5-9)18-13(20)11-8-17-19(3)12(11)16/h4-8H,16H2,1-3H3,(H,18,20)
InChIKeyKKENPADCIPVRLJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide

5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 82546188) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID82546188
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(C)(C)c2ccc(F)cc2)c1N
InChIInChI=1S/C14H17FN4O/c1-14(2,9-4-6-10(15)7-5-9)18-13(20)11-8-17-19(3)12(11)16/h4-8H,16H2,1-3H3,(H,18,20)
InChIKeyKKENPADCIPVRLJ-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
5-amino-N-[(2S)-2-(4-fluorophenoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 97306008
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469727
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475476
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide (CID 82546188) is 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC(C)(C)c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is KKENPADCIPVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-14(2,9-4-6-10(15)7-5-9)18-13(20)11-8-17-19(3)12(11)16/h4-8H,16H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82546188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).