1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea

C15H22F2N4O — CID 178134827

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea
SMILESC[C@H](NC(=O)Nc1ccn(C2CCC(F)(F)CC2)n1)C1CC1
InChIInChI=1S/C15H22F2N4O/c1-10(11-2-3-11)18-14(22)19-13-6-9-21(20-13)12-4-7-15(16,17)8-5-12/h6,9-12H,2-5,7-8H2,1H3,(H2,18,19,20,22)/t10-/m0/s1
InChIKeyWJPWFEWPBJGTOF-JTQLQIEISA-N
MW312.36 g/mol
LogP3.55
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea

1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea (PubChem CID 178134827) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea
PubChem CID178134827
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea
SMILESC[C@H](NC(=O)Nc1ccn(C2CCC(F)(F)CC2)n1)C1CC1
InChIInChI=1S/C15H22F2N4O/c1-10(11-2-3-11)18-14(22)19-13-6-9-21(20-13)12-4-7-15(16,17)8-5-12/h6,9-12H,2-5,7-8H2,1H3,(H2,18,19,20,22)/t10-/m0/s1
InChIKeyWJPWFEWPBJGTOF-JTQLQIEISA-N
XLogP3.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53017239
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CID 53017248
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CID 56795480
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CID 72860414
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CID 75427332
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CID 97258233
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CID 97333918

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea (CID 178134827) is 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea is C[C@H](NC(=O)Nc1ccn(C2CCC(F)(F)CC2)n1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea?
The InChIKey is WJPWFEWPBJGTOF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-10(11-2-3-11)18-14(22)19-13-6-9-21(20-13)12-4-7-15(16,17)8-5-12/h6,9-12H,2-5,7-8H2,1H3,(H2,18,19,20,22)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea?
1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea has a molecular weight of 312.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea is sourced from PubChem (CID 178134827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).