1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea

C18H24N4O — CID 75381169

IUPAC1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)N(C)C2CCC2)n1
InChIInChI=1S/C18H24N4O/c1-13-11-14(2)22(20-13)17-10-5-4-7-15(17)12-19-18(23)21(3)16-8-6-9-16/h4-5,7,10-11,16H,6,8-9,12H2,1-3H3,(H,19,23)
InChIKeyXVAYNJNBSKEFJR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.18
Rot. Bonds4

About 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea

1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea (PubChem CID 75381169) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
PubChem CID75381169
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)N(C)C2CCC2)n1
InChIInChI=1S/C18H24N4O/c1-13-11-14(2)22(20-13)17-10-5-4-7-15(17)12-19-18(23)21(3)16-8-6-9-16/h4-5,7,10-11,16H,6,8-9,12H2,1-3H3,(H,19,23)
InChIKeyXVAYNJNBSKEFJR-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119812822
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 171676342
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea (CID 75381169) is 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea is Cc1cc(C)n(-c2ccccc2CNC(=O)N(C)C2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea?
The InChIKey is XVAYNJNBSKEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-11-14(2)22(20-13)17-10-5-4-7-15(17)12-19-18(23)21(3)16-8-6-9-16/h4-5,7,10-11,16H,6,8-9,12H2,1-3H3,(H,19,23).
What are the key properties of 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea?
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea has a molecular weight of 312.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 75381169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).