3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea

C19H25ClN4O2 — CID 126769236

IUPAC3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)C1CCC(CO)CC1
InChIInChI=1S/C19H25ClN4O2/c1-13-11-24(17-6-4-3-5-16(17)20)22-18(13)21-19(26)23(2)15-9-7-14(12-25)8-10-15/h3-6,11,14-15,25H,7-10,12H2,1-2H3,(H,21,22,26)
InChIKeyOQNLCPURYKMTIW-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.85
Rot. Bonds4

About 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea

3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea (PubChem CID 126769236) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
PubChem CID126769236
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)C1CCC(CO)CC1
InChIInChI=1S/C19H25ClN4O2/c1-13-11-24(17-6-4-3-5-16(17)20)22-18(13)21-19(26)23(2)15-9-7-14(12-25)8-10-15/h3-6,11,14-15,25H,7-10,12H2,1-2H3,(H,21,22,26)
InChIKeyOQNLCPURYKMTIW-UHFFFAOYSA-N
XLogP3.85
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
CID 166361838
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517700
3-bromo-N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]furan-2-carboxamide
CID 97157900
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
CID 97157903
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
CID 167906538
[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 126767010
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 126792461
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
CID 120519872
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea?
The IUPAC name of 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea (CID 126769236) is 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea?
The canonical SMILES for 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea is Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)C1CCC(CO)CC1.
What is the InChIKey of 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea?
The InChIKey is OQNLCPURYKMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13-11-24(17-6-4-3-5-16(17)20)22-18(13)21-19(26)23(2)15-9-7-14(12-25)8-10-15/h3-6,11,14-15,25H,7-10,12H2,1-2H3,(H,21,22,26).
What are the key properties of 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea?
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea has a molecular weight of 376.89 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea is sourced from PubChem (CID 126769236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).