1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea

C17H24N4O2 — CID 111455415

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1n[nH]c(C)c1CNC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H24N4O2/c1-12-15(13(2)21-20-12)11-18-17(23)19-16(9-6-10-22)14-7-4-3-5-8-14/h3-5,7-8,16,22H,6,9-11H2,1-2H3,(H,20,21)(H2,18,19,23)
InChIKeyZANJDLUIADMDLB-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.34
Rot. Bonds7

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111455415) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111455415
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1n[nH]c(C)c1CNC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H24N4O2/c1-12-15(13(2)21-20-12)11-18-17(23)19-16(9-6-10-22)14-7-4-3-5-8-14/h3-5,7-8,16,22H,6,9-11H2,1-2H3,(H,20,21)(H2,18,19,23)
InChIKeyZANJDLUIADMDLB-UHFFFAOYSA-N
XLogP2.34
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
1-(4-hydroxy-1-phenylbutyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 111454047
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea (CID 111455415) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea is Cc1n[nH]c(C)c1CNC(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is ZANJDLUIADMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-15(13(2)21-20-12)11-18-17(23)19-16(9-6-10-22)14-7-4-3-5-8-14/h3-5,7-8,16,22H,6,9-11H2,1-2H3,(H,20,21)(H2,18,19,23).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 316.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111455415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).