N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide

C14H16FN3O — CID 19404982

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3O/c1-2-4-14(19)16-13-7-8-18(17-13)10-11-5-3-6-12(15)9-11/h3,5-9H,2,4,10H2,1H3,(H,16,17,19)
InChIKeyUATHLIQVCTVXTB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.81
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide (PubChem CID 19404982) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
PubChem CID19404982
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3O/c1-2-4-14(19)16-13-7-8-18(17-13)10-11-5-3-6-12(15)9-11/h3,5-9H,2,4,10H2,1H3,(H,16,17,19)
InChIKeyUATHLIQVCTVXTB-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

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550032
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565719
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563692
4-chloro-1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19263447
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19516676
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19405944
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558197
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19404881
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide (CID 19404982) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide is CCCC(=O)Nc1ccn(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide?
The InChIKey is UATHLIQVCTVXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-4-14(19)16-13-7-8-18(17-13)10-11-5-3-6-12(15)9-11/h3,5-9H,2,4,10H2,1H3,(H,16,17,19).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-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-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 19404982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).