1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea

C15H23F3N4O — CID 146139709

IUPAC1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea
SMILESCCCn1ncc(NC(=O)NC(C)(CC)C(F)(F)F)c1C1CC1
InChIInChI=1S/C15H23F3N4O/c1-4-8-22-12(10-6-7-10)11(9-19-22)20-13(23)21-14(3,5-2)15(16,17)18/h9-10H,4-8H2,1-3H3,(H2,20,21,23)
InChIKeyFEOHWBRBOFLOFN-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.02
Rot. Bonds6

About 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea

1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea (PubChem CID 146139709) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea
PubChem CID146139709
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea
SMILESCCCn1ncc(NC(=O)NC(C)(CC)C(F)(F)F)c1C1CC1
InChIInChI=1S/C15H23F3N4O/c1-4-8-22-12(10-6-7-10)11(9-19-22)20-13(23)21-14(3,5-2)15(16,17)18/h9-10H,4-8H2,1-3H3,(H2,20,21,23)
InChIKeyFEOHWBRBOFLOFN-UHFFFAOYSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea with MolForge

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Related Compounds

5-Cyclopropyl-1-(1-methylpropyl)-1H-pyrazol-4-amine
CID 19620130
5-cyclopropyl-1-propyl-1H-pyrazol-4-amine hydrochloride
CID 71757741
5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine hydrochloride
CID 145897128
3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine hydrochloride
CID 145899187
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
N-(cyclopropylmethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]acetamide
CID 75448424
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127688084
3-cyano-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methylazetidine-1-carboxamide
CID 128404468
1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl]urea
CID 132397447
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
CID 136544125
1-[2-(3,3-Dimethylpyrrolidin-1-yl)ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 138025189

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea (CID 146139709) is 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea is CCCn1ncc(NC(=O)NC(C)(CC)C(F)(F)F)c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea?
The InChIKey is FEOHWBRBOFLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-4-8-22-12(10-6-7-10)11(9-19-22)20-13(23)21-14(3,5-2)15(16,17)18/h9-10H,4-8H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea?
1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea has a molecular weight of 332.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea is sourced from PubChem (CID 146139709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).