1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

C17H23N5O — CID 122274163

IUPAC1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCn1nccc1-c1cncc(CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H23N5O/c1-22-16(7-8-20-22)14-9-13(10-18-12-14)11-19-17(23)21-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,19,21,23)
InChIKeyFQUDJVGVOUICNL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.61
Rot. Bonds4

About 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (PubChem CID 122274163) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
PubChem CID122274163
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCn1nccc1-c1cncc(CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H23N5O/c1-22-16(7-8-20-22)14-9-13(10-18-12-14)11-19-17(23)21-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,19,21,23)
InChIKeyFQUDJVGVOUICNL-UHFFFAOYSA-N
XLogP2.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 119105195
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (CID 122274163) is 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is Cn1nccc1-c1cncc(CNC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The InChIKey is FQUDJVGVOUICNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22-16(7-8-20-22)14-9-13(10-18-12-14)11-19-17(23)21-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,19,21,23).
What are the key properties of 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 122274163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).