N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

C14H16FN3O — CID 110484328

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-9-8-12(18-17-9)13(19)16-14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKNWWTRIMNMJEKQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.52
Rot. Bonds3

About N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110484328) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID110484328
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-9-8-12(18-17-9)13(19)16-14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKNWWTRIMNMJEKQ-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 110484328) is N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KNWWTRIMNMJEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-8-12(18-17-9)13(19)16-14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110484328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).