1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea

C15H26N4O — CID 51852027

IUPAC1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
SMILESCc1cc(C)n(C[C@H](C)NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-11-9-13(3)19(18-11)10-12(2)16-15(20)17-14-7-5-4-6-8-14/h9,12,14H,4-8,10H2,1-3H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyBTGXVJWHEGBOLY-LBPRGKRZSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea

1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea (PubChem CID 51852027) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
PubChem CID51852027
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
SMILESCc1cc(C)n(C[C@H](C)NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-11-9-13(3)19(18-11)10-12(2)16-15(20)17-14-7-5-4-6-8-14/h9,12,14H,4-8,10H2,1-3H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyBTGXVJWHEGBOLY-LBPRGKRZSA-N
XLogP2.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
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1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
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CID 166196436
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
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CID 91636205
1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 86838513
N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4774730
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea (CID 51852027) is 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea is Cc1cc(C)n(C[C@H](C)NC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea?
The InChIKey is BTGXVJWHEGBOLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-9-13(3)19(18-11)10-12(2)16-15(20)17-14-7-5-4-6-8-14/h9,12,14H,4-8,10H2,1-3H3,(H2,16,17,20)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea?
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 51852027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).