1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

C16H18N6O2 — CID 111104607

IUPAC1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccn2)c1)Nc1cnn(CCO)c1
InChIInChI=1S/C16H18N6O2/c23-8-7-22-12-15(10-18-22)20-16(24)19-14-4-1-3-13(9-14)11-21-6-2-5-17-21/h1-6,9-10,12,23H,7-8,11H2,(H2,19,20,24)
InChIKeyUFKSFCLATWUDST-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.76
Rot. Bonds6

About 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 111104607) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID111104607
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccn2)c1)Nc1cnn(CCO)c1
InChIInChI=1S/C16H18N6O2/c23-8-7-22-12-15(10-18-22)20-16(24)19-14-4-1-3-13(9-14)11-21-6-2-5-17-21/h1-6,9-10,12,23H,7-8,11H2,(H2,19,20,24)
InChIKeyUFKSFCLATWUDST-UHFFFAOYSA-N
XLogP1.76
TPSA97.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]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-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 75400123
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 111104607) is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is O=C(Nc1cccc(Cn2cccn2)c1)Nc1cnn(CCO)c1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is UFKSFCLATWUDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-8-7-22-12-15(10-18-22)20-16(24)19-14-4-1-3-13(9-14)11-21-6-2-5-17-21/h1-6,9-10,12,23H,7-8,11H2,(H2,19,20,24).
What are the key properties of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 326.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 111104607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).