1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide

C20H18FN5O2 — CID 47882197

IUPAC1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H18FN5O2/c1-2-11-22-20(28)24-16-8-6-15(7-9-16)23-19(27)18-10-12-26(25-18)17-5-3-4-14(21)13-17/h2-10,12-13H,1,11H2,(H,23,27)(H2,22,24,28)
InChIKeyQZISSSOLZHTKRM-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.57
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 47882197) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID47882197
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H18FN5O2/c1-2-11-22-20(28)24-16-8-6-15(7-9-16)23-19(27)18-10-12-26(25-18)17-5-3-4-14(21)13-17/h2-10,12-13H,1,11H2,(H,23,27)(H2,22,24,28)
InChIKeyQZISSSOLZHTKRM-UHFFFAOYSA-N
XLogP3.57
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 49168620
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide (CID 47882197) is 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is QZISSSOLZHTKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-2-11-22-20(28)24-16-8-6-15(7-9-16)23-19(27)18-10-12-26(25-18)17-5-3-4-14(21)13-17/h2-10,12-13H,1,11H2,(H,23,27)(H2,22,24,28).
What are the key properties of 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47882197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).