N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide

C18H15FN4O3 — CID 59733299

IUPACN-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(CO)cc1
InChIInChI=1S/C18H15FN4O3/c19-13-5-7-14(8-6-13)21-18(26)16-15(9-20-23-16)22-17(25)12-3-1-11(10-24)2-4-12/h1-9,24H,10H2,(H,20,23)(H,21,26)(H,22,25)
InChIKeyJWCWFABBQZAYGE-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.55
Rot. Bonds5

About N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 59733299) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID59733299
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(CO)cc1
InChIInChI=1S/C18H15FN4O3/c19-13-5-7-14(8-6-13)21-18(26)16-15(9-20-23-16)22-17(25)12-3-1-11(10-24)2-4-12/h1-9,24H,10H2,(H,20,23)(H,21,26)(H,22,25)
InChIKeyJWCWFABBQZAYGE-UHFFFAOYSA-N
XLogP2.55
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (CID 59733299) is N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(CO)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is JWCWFABBQZAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-5-7-14(8-6-13)21-18(26)16-15(9-20-23-16)22-17(25)12-3-1-11(10-24)2-4-12/h1-9,24H,10H2,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).