2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

C16H20FN5O2 — CID 71879025

IUPAC2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C16H20FN5O2/c1-10(2)8-13(15(23)21-14-6-7-18-22-14)20-16(24)19-12-5-3-4-11(17)9-12/h3-7,9-10,13H,8H2,1-2H3,(H2,19,20,24)(H2,18,21,22,23)
InChIKeyCPTZBFNTQMRALT-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.72
Rot. Bonds6

About 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (PubChem CID 71879025) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
PubChem CID71879025
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C16H20FN5O2/c1-10(2)8-13(15(23)21-14-6-7-18-22-14)20-16(24)19-12-5-3-4-11(17)9-12/h3-7,9-10,13H,8H2,1-2H3,(H2,19,20,24)(H2,18,21,22,23)
InChIKeyCPTZBFNTQMRALT-UHFFFAOYSA-N
XLogP2.72
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]-N-(1H-pyrazol-5-yl)pentanamide
CID 71850592
(2S)-2-[[(2S)-2-[[(2S)-2-[(3-fluorophenyl)carbamoylamino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 139801956
5-fluoro-3-methyl-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]-1-benzothiophene-2-carboxamide
CID 86890959
4-chloro-N-[(2R)-1-(3-fluoroanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 9412555
(2R)-4-methyl-N-(1H-pyrazol-5-yl)-2-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]pentanamide
CID 97009444
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
2-[3-(3,4-dimethylphenoxy)propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 86891039

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (CID 71879025) is 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is CC(C)CC(NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The InChIKey is CPTZBFNTQMRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-10(2)8-13(15(23)21-14-6-7-18-22-14)20-16(24)19-12-5-3-4-11(17)9-12/h3-7,9-10,13H,8H2,1-2H3,(H2,19,20,24)(H2,18,21,22,23).
What are the key properties of 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide has a molecular weight of 333.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)carbamoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 71879025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).