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

C14H18N4O2 — CID 111111772

IUPAC1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
SMILESCc1cnn(Cc2ccc(NC(=O)NCCO)cc2)c1
InChIInChI=1S/C14H18N4O2/c1-11-8-16-18(9-11)10-12-2-4-13(5-3-12)17-14(20)15-6-7-19/h2-5,8-9,19H,6-7,10H2,1H3,(H2,15,17,20)
InChIKeyHTIXCVAMFSGGRH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea (PubChem CID 111111772) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
PubChem CID111111772
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
SMILESCc1cnn(Cc2ccc(NC(=O)NCCO)cc2)c1
InChIInChI=1S/C14H18N4O2/c1-11-8-16-18(9-11)10-12-2-4-13(5-3-12)17-14(20)15-6-7-19/h2-5,8-9,19H,6-7,10H2,1H3,(H2,15,17,20)
InChIKeyHTIXCVAMFSGGRH-UHFFFAOYSA-N
XLogP1.35
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
CID 111538363
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
CID 86813981
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
1-(2-cyanoethyl)-1-cyclopropyl-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71992220
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111474317
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea (CID 111111772) is 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea is Cc1cnn(Cc2ccc(NC(=O)NCCO)cc2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea?
The InChIKey is HTIXCVAMFSGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-8-16-18(9-11)10-12-2-4-13(5-3-12)17-14(20)15-6-7-19/h2-5,8-9,19H,6-7,10H2,1H3,(H2,15,17,20).
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea?
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 111111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).