1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea

C14H23N5O2 — CID 13224100

IUPAC1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
SMILESCc1cc(C)n(CC(=O)NNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H23N5O2/c1-10-8-11(2)19(18-10)9-13(20)16-17-14(21)15-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,20)(H2,15,17,21)
InChIKeyPOGAICJCMXKBBN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea

1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea (PubChem CID 13224100) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
PubChem CID13224100
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
SMILESCc1cc(C)n(CC(=O)NNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H23N5O2/c1-10-8-11(2)19(18-10)9-13(20)16-17-14(21)15-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,20)(H2,15,17,21)
InChIKeyPOGAICJCMXKBBN-UHFFFAOYSA-N
XLogP1.16
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 821228
2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-ethylhydrazinecarbothioamide
CID 4290547
N-isobutyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}hydrazinecarbothioamide
CID 4765761
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
1-[[2-(3,5-Dimethylpyrazol-1-yl)acetyl]amino]-3-ethylurea
CID 13224097
1-[[2-(3,5-Dimethylpyrazol-1-yl)acetyl]amino]-3-propylurea
CID 13224098
1-Butyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea
CID 13224099
2-(3,5-dimethylpyrazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45818825
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-A]azepin-7-YL)acetamide
CID 91922655
N-cyclohexyl-3,5-dimethyl-1H-pyrazole-1-carboxamide
CID 746858
1-cyclohexyl-3-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)urea
CID 49670904

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea?
The IUPAC name of 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea (CID 13224100) is 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea is Cc1cc(C)n(CC(=O)NNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea?
The InChIKey is POGAICJCMXKBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-8-11(2)19(18-10)9-13(20)16-17-14(21)15-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,20)(H2,15,17,21).
What are the key properties of 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea?
1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea has a molecular weight of 293.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]urea is sourced from PubChem (CID 13224100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).