3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

C16H19ClN4O2 — CID 111859229

IUPAC3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-3-4-11)16(23)19-12-5-6-14(13(17)9-12)21-8-2-7-18-21/h2,5-9,11,15,22H,3-4,10H2,1H3,(H,19,23)
InChIKeyIINIAXVFHQMKLN-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.76
Rot. Bonds5

About 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (PubChem CID 111859229) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
PubChem CID111859229
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-3-4-11)16(23)19-12-5-6-14(13(17)9-12)21-8-2-7-18-21/h2,5-9,11,15,22H,3-4,10H2,1H3,(H,19,23)
InChIKeyIINIAXVFHQMKLN-UHFFFAOYSA-N
XLogP2.76
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
3-(4-chloro-3-nitrophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859060
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111474512
1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 111859174
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 119316621
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (CID 111859229) is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is CN(CC(O)C1CC1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The InChIKey is IINIAXVFHQMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-3-4-11)16(23)19-12-5-6-14(13(17)9-12)21-8-2-7-18-21/h2,5-9,11,15,22H,3-4,10H2,1H3,(H,19,23).
What are the key properties of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea has a molecular weight of 334.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111859229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).