1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea

C18H24N4O — CID 167918665

IUPAC1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H24N4O/c23-18(19-13-16-11-12-20-21-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13-14H2,(H,19,23)(H,20,21)
InChIKeyTVTIBCBXXIBMCN-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.45
Rot. Bonds5

About 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea

1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 167918665) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID167918665
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H24N4O/c23-18(19-13-16-11-12-20-21-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13-14H2,(H,19,23)(H,20,21)
InChIKeyTVTIBCBXXIBMCN-UHFFFAOYSA-N
XLogP3.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]urea
CID 126711674
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea
CID 75426252
2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60975429
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea (CID 167918665) is 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is TVTIBCBXXIBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(19-13-16-11-12-20-21-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13-14H2,(H,19,23)(H,20,21).
What are the key properties of 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea?
1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 312.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 167918665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).