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

C13H16N4O2 — CID 118729135

IUPAC1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCNC(=O)N(CCO)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O2/c1-14-13(19)17(6-7-18)12-4-2-10(3-5-12)11-8-15-16-9-11/h2-5,8-9,18H,6-7H2,1H3,(H,14,19)(H,15,16)
InChIKeyRBBPVLPSAIZNMD-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.21
Rot. Bonds4

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

1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 118729135) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID118729135
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCNC(=O)N(CCO)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O2/c1-14-13(19)17(6-7-18)12-4-2-10(3-5-12)11-8-15-16-9-11/h2-5,8-9,18H,6-7H2,1H3,(H,14,19)(H,15,16)
InChIKeyRBBPVLPSAIZNMD-UHFFFAOYSA-N
XLogP1.21
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68569315
1-[2-(dimethylamino)ethyl]-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654972
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid
CID 91523495
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
4-(1H-pyrazol-4-yl)benzenethiol
CID 175034762
N,N-dimethyl-6-[4-(1H-pyrazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 155911644

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 118729135) is 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is CNC(=O)N(CCO)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is RBBPVLPSAIZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-14-13(19)17(6-7-18)12-4-2-10(3-5-12)11-8-15-16-9-11/h2-5,8-9,18H,6-7H2,1H3,(H,14,19)(H,15,16).
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 260.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 118729135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).