1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea

C17H29N5O — CID 136524276

IUPAC1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCn1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C17H29N5O/c1-21-13-8-15(20-21)19-16(23)18-14-17(9-4-2-5-10-17)22-11-6-3-7-12-22/h8,13H,2-7,9-12,14H2,1H3,(H2,18,19,20,23)
InChIKeyXDQQJHYKNMTKIZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.73
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea

1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (PubChem CID 136524276) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
PubChem CID136524276
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCn1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C17H29N5O/c1-21-13-8-15(20-21)19-16(23)18-14-17(9-4-2-5-10-17)22-11-6-3-7-12-22/h8,13H,2-7,9-12,14H2,1H3,(H2,18,19,20,23)
InChIKeyXDQQJHYKNMTKIZ-UHFFFAOYSA-N
XLogP2.73
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea with MolForge

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Related Compounds

1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
CID 125167603
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 136530337
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 79778673
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (CID 136524276) is 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is Cn1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The InChIKey is XDQQJHYKNMTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21-13-8-15(20-21)19-16(23)18-14-17(9-4-2-5-10-17)22-11-6-3-7-12-22/h8,13H,2-7,9-12,14H2,1H3,(H2,18,19,20,23).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 136524276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).