3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

C16H19ClN4O2 — CID 111859281

IUPAC3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-6-7-11)16(23)19-12-8-18-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11,15,22H,6-7,10H2,1H3,(H,19,23)
InChIKeyPSCRNFAATPIBEH-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.76
Rot. Bonds5

About 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (PubChem CID 111859281) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
PubChem CID111859281
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-6-7-11)16(23)19-12-8-18-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11,15,22H,6-7,10H2,1H3,(H,19,23)
InChIKeyPSCRNFAATPIBEH-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-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
CID 122159392
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424
1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 111859174
3-(4-chloro-3-nitrophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859060
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111859231
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276212
3-(2-bromophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859004

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (CID 111859281) is 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is CN(CC(O)C1CC1)C(=O)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The InChIKey is PSCRNFAATPIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(10-15(22)11-6-7-11)16(23)19-12-8-18-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11,15,22H,6-7,10H2,1H3,(H,19,23).
What are the key properties of 3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
3-[1-(2-chlorophenyl)pyrazol-4-yl]-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-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111859281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).