1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C14H17ClN4O2 — CID 110903365

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCC(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H17ClN4O2/c1-19-9-10(7-18-19)6-16-14(21)17-8-13(20)11-2-4-12(15)5-3-11/h2-5,7,9,13,20H,6,8H2,1H3,(H2,16,17,21)
InChIKeyNFHRKIOZVICNQZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 110903365) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID110903365
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCC(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H17ClN4O2/c1-19-9-10(7-18-19)6-16-14(21)17-8-13(20)11-2-4-12(15)5-3-11/h2-5,7,9,13,20H,6,8H2,1H3,(H2,16,17,21)
InChIKeyNFHRKIOZVICNQZ-UHFFFAOYSA-N
XLogP1.61
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86970045
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
1-(3-hydroxy-4-methylpentyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111505196
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 110903365) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NCC(O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is NFHRKIOZVICNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-19-9-10(7-18-19)6-16-14(21)17-8-13(20)11-2-4-12(15)5-3-11/h2-5,7,9,13,20H,6,8H2,1H3,(H2,16,17,21).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 308.77 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 110903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).