N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide

C14H16FN3O — CID 19399998

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C14H16FN3O/c1-2-5-14(19)17-12-8-16-18(10-12)9-11-6-3-4-7-13(11)15/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,19)
InChIKeyODKJPKKJLDKQRU-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.81
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide (PubChem CID 19399998) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
PubChem CID19399998
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C14H16FN3O/c1-2-5-14(19)17-12-8-16-18(10-12)9-11-6-3-4-7-13(11)15/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,19)
InChIKeyODKJPKKJLDKQRU-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
CID 19399871
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539828
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
cis-(1S,3R)-3-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390862
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide (CID 19399998) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide is CCCC(=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide?
The InChIKey is ODKJPKKJLDKQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-5-14(19)17-12-8-16-18(10-12)9-11-6-3-4-7-13(11)15/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,19).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide has a molecular weight of 261.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 19399998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).