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

C17H24N4O2 — CID 95630447

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
SMILESCCC[C@@H](O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C17H24N4O2/c1-4-7-14(22)11-18-17(23)19-15-8-5-6-9-16(15)21-13(3)10-12(2)20-21/h5-6,8-10,14,22H,4,7,11H2,1-3H3,(H2,18,19,23)/t14-/m1/s1
InChIKeyNDBHUGDWRPIUKF-CQSZACIVSA-N
MW316.41 g/mol
LogP2.77
Rot. Bonds6

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

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea (PubChem CID 95630447) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
PubChem CID95630447
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
SMILESCCC[C@@H](O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C17H24N4O2/c1-4-7-14(22)11-18-17(23)19-15-8-5-6-9-16(15)21-13(3)10-12(2)20-21/h5-6,8-10,14,22H,4,7,11H2,1-3H3,(H2,18,19,23)/t14-/m1/s1
InChIKeyNDBHUGDWRPIUKF-CQSZACIVSA-N
XLogP2.77
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
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]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
CID 97004143
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
CID 167942897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea (CID 95630447) is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea is CCC[C@@H](O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea?
The InChIKey is NDBHUGDWRPIUKF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-7-14(22)11-18-17(23)19-15-8-5-6-9-16(15)21-13(3)10-12(2)20-21/h5-6,8-10,14,22H,4,7,11H2,1-3H3,(H2,18,19,23)/t14-/m1/s1.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea?
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.77, 6 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-[(2R)-2-hydroxypentyl]urea is sourced from PubChem (CID 95630447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).