N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

C14H16FN3O — CID 19555724

IUPACN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-11-6-8-18(17-11)9-7-14(19)16-10-12-2-4-13(15)5-3-12/h2-6,8H,7,9-10H2,1H3,(H,16,19)
InChIKeySQDCXNMQPAIAGR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555724) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555724
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-11-6-8-18(17-11)9-7-14(19)16-10-12-2-4-13(15)5-3-12/h2-6,8H,7,9-10H2,1H3,(H,16,19)
InChIKeySQDCXNMQPAIAGR-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555892
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339683
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 75295671
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 19555724) is N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is SQDCXNMQPAIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-11-6-8-18(17-11)9-7-14(19)16-10-12-2-4-13(15)5-3-12/h2-6,8H,7,9-10H2,1H3,(H,16,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 261.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).