1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

C14H16F3N5O — CID 99583562

IUPAC1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2ccc(C(F)(F)F)nc2)n[nH]1
InChIInChI=1S/C14H16F3N5O/c1-8(5-11-6-9(2)21-22-11)19-13(23)20-10-3-4-12(18-7-10)14(15,16)17/h3-4,6-8H,5H2,1-2H3,(H,21,22)(H2,19,20,23)/t8-/m0/s1
InChIKeyKDVULGHHAHEGOL-QMMMGPOBSA-N
MW327.31 g/mol
LogP2.88
Rot. Bonds4

About 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea

1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 99583562) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID99583562
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2ccc(C(F)(F)F)nc2)n[nH]1
InChIInChI=1S/C14H16F3N5O/c1-8(5-11-6-9(2)21-22-11)19-13(23)20-10-3-4-12(18-7-10)14(15,16)17/h3-4,6-8H,5H2,1-2H3,(H,21,22)(H2,19,20,23)/t8-/m0/s1
InChIKeyKDVULGHHAHEGOL-QMMMGPOBSA-N
XLogP2.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99606047
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
N,N,2-trimethyl-5-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]benzamide
CID 99715690
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86799814
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99711727
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677
1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99579597

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea (CID 99583562) is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(F)(F)F)nc2)n[nH]1.
What is the InChIKey of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is KDVULGHHAHEGOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8(5-11-6-9(2)21-22-11)19-13(23)20-10-3-4-12(18-7-10)14(15,16)17/h3-4,6-8H,5H2,1-2H3,(H,21,22)(H2,19,20,23)/t8-/m0/s1.
What are the key properties of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 327.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 99583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).