1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide

C14H17FN4O — CID 120827733

IUPAC1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-10(16-2)9-17-14(20)12-7-8-19(18-12)13-6-4-3-5-11(13)15/h3-8,10,16H,9H2,1-2H3,(H,17,20)
InChIKeyIPVUYWRBRCTDIO-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide (PubChem CID 120827733) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
PubChem CID120827733
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-10(16-2)9-17-14(20)12-7-8-19(18-12)13-6-4-3-5-11(13)15/h3-8,10,16H,9H2,1-2H3,(H,17,20)
InChIKeyIPVUYWRBRCTDIO-UHFFFAOYSA-N
XLogP1.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 120827751
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55652048
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide (CID 120827733) is 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide is CNC(C)CNC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is IPVUYWRBRCTDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10(16-2)9-17-14(20)12-7-8-19(18-12)13-6-4-3-5-11(13)15/h3-8,10,16H,9H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 120827733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).