N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

C13H14FN3O — CID 19411730

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C13H14FN3O/c1-2-13(18)16-12-7-15-17(9-12)8-10-3-5-11(14)6-4-10/h3-7,9H,2,8H2,1H3,(H,16,18)
InChIKeyGZBBXLFYGBFLAZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.42
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19411730) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19411730
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C13H14FN3O/c1-2-13(18)16-12-7-15-17(9-12)8-10-3-5-11(14)6-4-10/h3-7,9H,2,8H2,1H3,(H,16,18)
InChIKeyGZBBXLFYGBFLAZ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 19342544
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19410012

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19411730) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is CCC(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is GZBBXLFYGBFLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-13(18)16-12-7-15-17(9-12)8-10-3-5-11(14)6-4-10/h3-7,9H,2,8H2,1H3,(H,16,18).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 247.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19411730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).