N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide

C15H14FN5O — CID 135315887

IUPACN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)Nc1ccn(-c2ccnc(F)c2)n1
InChIInChI=1S/C15H14FN5O/c1-20-7-2-3-11(20)10-15(22)18-14-5-8-21(19-14)12-4-6-17-13(16)9-12/h2-9H,10H2,1H3,(H,18,19,22)
InChIKeyIKEWWHQJSXLBMN-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.93
Rot. Bonds4

About N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 135315887) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID135315887
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)Nc1ccn(-c2ccnc(F)c2)n1
InChIInChI=1S/C15H14FN5O/c1-20-7-2-3-11(20)10-15(22)18-14-5-8-21(19-14)12-4-6-17-13(16)9-12/h2-9H,10H2,1H3,(H,18,19,22)
InChIKeyIKEWWHQJSXLBMN-UHFFFAOYSA-N
XLogP1.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315845
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596083
(1S)-2,2-dichloro-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589233
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide
CID 140905836
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
N-(1-methylindol-5-yl)-2-(1-methylpyrrol-2-yl)acetamide
CID 138964414
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide (CID 135315887) is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide is Cn1cccc1CC(=O)Nc1ccn(-c2ccnc(F)c2)n1.
What is the InChIKey of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is IKEWWHQJSXLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-20-7-2-3-11(20)10-15(22)18-14-5-8-21(19-14)12-4-6-17-13(16)9-12/h2-9H,10H2,1H3,(H,18,19,22).
What are the key properties of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide?
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 299.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 135315887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).