1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C18H30N6O2 — CID 72907404

IUPAC1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)n(CC(C)C)n1
InChIInChI=1S/C18H30N6O2/c1-12(2)10-24-17(9-13(3)20-24)19-18(26)23(7-8-25)11-16-14(4)21-22(6)15(16)5/h9,12,25H,7-8,10-11H2,1-6H3,(H,19,26)
InChIKeyJZXCTMBKPMGQNL-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.22
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 72907404) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID72907404
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)n(CC(C)C)n1
InChIInChI=1S/C18H30N6O2/c1-12(2)10-24-17(9-13(3)20-24)19-18(26)23(7-8-25)11-16-14(4)21-22(6)15(16)5/h9,12,25H,7-8,10-11H2,1-6H3,(H,19,26)
InChIKeyJZXCTMBKPMGQNL-UHFFFAOYSA-N
XLogP2.22
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide
CID 118783640
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea
CID 110891183
1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 47199691
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
CID 118786473
3-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-hydroxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 118786270
3-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 138045016
N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 91834430
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 72907404) is 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)n(CC(C)C)n1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is JZXCTMBKPMGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-12(2)10-24-17(9-13(3)20-24)19-18(26)23(7-8-25)11-16-14(4)21-22(6)15(16)5/h9,12,25H,7-8,10-11H2,1-6H3,(H,19,26).
What are the key properties of 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 362.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 72907404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).