1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea

C18H27N5O2 — CID 111475375

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCN(C)CCn1ccc(NC(=O)NC(CCCO)c2ccccc2)n1
InChIInChI=1S/C18H27N5O2/c1-22(2)12-13-23-11-10-17(21-23)20-18(25)19-16(9-6-14-24)15-7-4-3-5-8-15/h3-5,7-8,10-11,16,24H,6,9,12-14H2,1-2H3,(H2,19,20,21,25)
InChIKeyANVMSVUNZVYBCC-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.08
Rot. Bonds9

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111475375) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111475375
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCN(C)CCn1ccc(NC(=O)NC(CCCO)c2ccccc2)n1
InChIInChI=1S/C18H27N5O2/c1-22(2)12-13-23-11-10-17(21-23)20-18(25)19-16(9-6-14-24)15-7-4-3-5-8-15/h3-5,7-8,10-11,16,24H,6,9,12-14H2,1-2H3,(H2,19,20,21,25)
InChIKeyANVMSVUNZVYBCC-UHFFFAOYSA-N
XLogP2.08
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
1-(4-hydroxy-1-phenylbutyl)-3-(2-methoxy-6-methylpyrimidin-4-yl)urea
CID 154759643
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794112
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea (CID 111475375) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea is CN(C)CCn1ccc(NC(=O)NC(CCCO)c2ccccc2)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is ANVMSVUNZVYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-22(2)12-13-23-11-10-17(21-23)20-18(25)19-16(9-6-14-24)15-7-4-3-5-8-15/h3-5,7-8,10-11,16,24H,6,9,12-14H2,1-2H3,(H2,19,20,21,25).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 345.45 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111475375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).