1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea

C19H33N5O — CID 75391078

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
SMILESCc1c(CNC(=O)NC2CCN(C3CCC(C)CC3)CC2)cnn1C
InChIInChI=1S/C19H33N5O/c1-14-4-6-18(7-5-14)24-10-8-17(9-11-24)22-19(25)20-12-16-13-21-23(3)15(16)2/h13-14,17-18H,4-12H2,1-3H3,(H2,20,22,25)
InChIKeyABAJATVIYFGMAK-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.57
Rot. Bonds4

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea (PubChem CID 75391078) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
PubChem CID75391078
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
SMILESCc1c(CNC(=O)NC2CCN(C3CCC(C)CC3)CC2)cnn1C
InChIInChI=1S/C19H33N5O/c1-14-4-6-18(7-5-14)24-10-8-17(9-11-24)22-19(25)20-12-16-13-21-23(3)15(16)2/h13-14,17-18H,4-12H2,1-3H3,(H2,20,22,25)
InChIKeyABAJATVIYFGMAK-UHFFFAOYSA-N
XLogP2.57
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea (CID 75391078) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea is Cc1c(CNC(=O)NC2CCN(C3CCC(C)CC3)CC2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The InChIKey is ABAJATVIYFGMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-14-4-6-18(7-5-14)24-10-8-17(9-11-24)22-19(25)20-12-16-13-21-23(3)15(16)2/h13-14,17-18H,4-12H2,1-3H3,(H2,20,22,25).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea has a molecular weight of 347.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)piperidin-4-yl]urea is sourced from PubChem (CID 75391078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).