N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide

C18H15FN4O2 — CID 24971316

IUPACN-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHVWXMQOSMQSZLU-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.98
Rot. Bonds5

About N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971316) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971316
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHVWXMQOSMQSZLU-UHFFFAOYSA-N
XLogP2.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide (CID 24971316) is N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide is O=C(Cc1ccccc1)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is HVWXMQOSMQSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(2-phenylacetyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).