1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C14H18N4O2 — CID 108813006

IUPAC1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCC(O)CNC(=O)Nc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-10(19)9-15-14(20)16-13-8-12(18(2)17-13)11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3,(H2,15,16,17,20)
InChIKeyBLRRNNJLPVUXRV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.59
Rot. Bonds4

About 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813006) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813006
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCC(O)CNC(=O)Nc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-10(19)9-15-14(20)16-13-8-12(18(2)17-13)11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3,(H2,15,16,17,20)
InChIKeyBLRRNNJLPVUXRV-UHFFFAOYSA-N
XLogP1.59
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
1-(2-cyanoethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813212
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193
ethyl 4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoate
CID 108813178
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813151
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
CID 105488006

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813006) is 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is CC(O)CNC(=O)Nc1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is BLRRNNJLPVUXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)9-15-14(20)16-13-8-12(18(2)17-13)11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3,(H2,15,16,17,20).
What are the key properties of 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).