1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea

C16H22N4O2 — CID 111336833

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)NCCC(C)O)n1
InChIInChI=1S/C16H22N4O2/c1-11-10-12(2)20(19-11)15-7-5-4-6-14(15)18-16(22)17-9-8-13(3)21/h4-7,10,13,21H,8-9H2,1-3H3,(H2,17,18,22)
InChIKeyMVJPDNYGHIDNFZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336833) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336833
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)NCCC(C)O)n1
InChIInChI=1S/C16H22N4O2/c1-11-10-12(2)20(19-11)15-7-5-4-6-14(15)18-16(22)17-9-8-13(3)21/h4-7,10,13,21H,8-9H2,1-3H3,(H2,17,18,22)
InChIKeyMVJPDNYGHIDNFZ-UHFFFAOYSA-N
XLogP2.38
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
CID 95630447
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
CID 167942897
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
CID 97004143
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea (CID 111336833) is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea is Cc1cc(C)n(-c2ccccc2NC(=O)NCCC(C)O)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is MVJPDNYGHIDNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-10-12(2)20(19-11)15-7-5-4-6-14(15)18-16(22)17-9-8-13(3)21/h4-7,10,13,21H,8-9H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 302.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).