3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea

C16H22N6O — CID 122491067

IUPAC3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea
SMILESCc1nn(-c2cncnc2)cc1N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22N6O/c1-12-15(10-22(20-12)14-8-17-11-18-9-14)21(2)16(23)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23)
InChIKeyDEVRAZRHPOTWCH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.45
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea

3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea (PubChem CID 122491067) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea
PubChem CID122491067
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea
SMILESCc1nn(-c2cncnc2)cc1N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22N6O/c1-12-15(10-22(20-12)14-8-17-11-18-9-14)21(2)16(23)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23)
InChIKeyDEVRAZRHPOTWCH-UHFFFAOYSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-isocyano-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide
CID 160679453
N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide
CID 152809644
tert-butyl N-methyl-N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate;tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
CID 161477057
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide
CID 160662567
N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
CID 69260848
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea (CID 122491067) is 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea is Cc1nn(-c2cncnc2)cc1N(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea?
The InChIKey is DEVRAZRHPOTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-15(10-22(20-12)14-8-17-11-18-9-14)21(2)16(23)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,23).
What are the key properties of 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea?
3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea is sourced from PubChem (CID 122491067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).