N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide

C18H29N3O — CID 167951521

IUPACN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1
InChIInChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22)
InChIKeyDUTKJWWDSFYPGL-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.46
Rot. Bonds4

About N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide

N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 167951521) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
PubChem CID167951521
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1
InChIInChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22)
InChIKeyDUTKJWWDSFYPGL-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide (CID 167951521) is N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide is Cc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1.
What is the InChIKey of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is DUTKJWWDSFYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22).
What are the key properties of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 167951521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).