5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

C20H18FN5O2 — CID 154838876

IUPAC5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnn(-c3ccccc3C)c2N)ccc1F
InChIInChI=1S/C20H18FN5O2/c1-3-18(27)25-16-10-13(8-9-15(16)21)24-20(28)14-11-23-26(19(14)22)17-7-5-4-6-12(17)2/h3-11H,1,22H2,2H3,(H,24,28)(H,25,27)
InChIKeyWSICPQPPJMNJKO-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.28
Rot. Bonds5

About 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 154838876) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID154838876
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnn(-c3ccccc3C)c2N)ccc1F
InChIInChI=1S/C20H18FN5O2/c1-3-18(27)25-16-10-13(8-9-15(16)21)24-20(28)14-11-23-26(19(14)22)17-7-5-4-6-12(17)2/h3-11H,1,22H2,2H3,(H,24,28)(H,25,27)
InChIKeyWSICPQPPJMNJKO-UHFFFAOYSA-N
XLogP3.28
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
5-cyclopropyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 166403649
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167951141
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
CID 140861984
5-bromo-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 166405393

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 154838876) is 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is C=CC(=O)Nc1cc(NC(=O)c2cnn(-c3ccccc3C)c2N)ccc1F.
What is the InChIKey of 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is WSICPQPPJMNJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-3-18(27)25-16-10-13(8-9-15(16)21)24-20(28)14-11-23-26(19(14)22)17-7-5-4-6-12(17)2/h3-11H,1,22H2,2H3,(H,24,28)(H,25,27).
What are the key properties of 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154838876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).