1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C17H25N5O2 — CID 111859399

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC(CO)CC(C)C)n(Cc2ccccn2)n1
InChIInChI=1S/C17H25N5O2/c1-12(2)8-15(11-23)19-17(24)20-16-9-13(3)21-22(16)10-14-6-4-5-7-18-14/h4-7,9,12,15,23H,8,10-11H2,1-3H3,(H2,19,20,24)
InChIKeyXHZACZQFBLZRPW-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.16
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 111859399) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID111859399
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC(CO)CC(C)C)n(Cc2ccccn2)n1
InChIInChI=1S/C17H25N5O2/c1-12(2)8-15(11-23)19-17(24)20-16-9-13(3)21-22(16)10-14-6-4-5-7-18-14/h4-7,9,12,15,23H,8,10-11H2,1-3H3,(H2,19,20,24)
InChIKeyXHZACZQFBLZRPW-UHFFFAOYSA-N
XLogP2.16
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea with MolForge

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Related Compounds

4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859411
1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 75435278
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71971474
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 75435277
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 118795980
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 111859399) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is Cc1cc(NC(=O)NC(CO)CC(C)C)n(Cc2ccccn2)n1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is XHZACZQFBLZRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)8-15(11-23)19-17(24)20-16-9-13(3)21-22(16)10-14-6-4-5-7-18-14/h4-7,9,12,15,23H,8,10-11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 331.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 111859399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).