1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea

C15H16F3N5O — CID 118776279

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H16F3N5O/c1-23-12(7-11(22-23)9-4-5-9)20-14(24)21-13(15(16,17)18)10-3-2-6-19-8-10/h2-3,6-9,13H,4-5H2,1H3,(H2,20,21,24)
InChIKeyIIWGHYSFXIBNDS-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.12
Rot. Bonds4

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea (PubChem CID 118776279) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea
PubChem CID118776279
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H16F3N5O/c1-23-12(7-11(22-23)9-4-5-9)20-14(24)21-13(15(16,17)18)10-3-2-6-19-8-10/h2-3,6-9,13H,4-5H2,1H3,(H2,20,21,24)
InChIKeyIIWGHYSFXIBNDS-UHFFFAOYSA-N
XLogP3.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea with MolForge

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Related Compounds

2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea (CID 118776279) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea is Cn1nc(C2CC2)cc1NC(=O)NC(c1cccnc1)C(F)(F)F.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea?
The InChIKey is IIWGHYSFXIBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-23-12(7-11(22-23)9-4-5-9)20-14(24)21-13(15(16,17)18)10-3-2-6-19-8-10/h2-3,6-9,13H,4-5H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea has a molecular weight of 339.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 118776279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).