N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide

C15H23N3O — CID 71808546

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nc(CNC(=O)C2CCCCC2)cc1C1CC1
InChIInChI=1S/C15H23N3O/c1-18-14(11-7-8-11)9-13(17-18)10-16-15(19)12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3,(H,16,19)
InChIKeyNXUTXVHIMBKHSS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.49
Rot. Bonds4

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 71808546) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID71808546
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nc(CNC(=O)C2CCCCC2)cc1C1CC1
InChIInChI=1S/C15H23N3O/c1-18-14(11-7-8-11)9-13(17-18)10-16-15(19)12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3,(H,16,19)
InChIKeyNXUTXVHIMBKHSS-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide (CID 71808546) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide is Cn1nc(CNC(=O)C2CCCCC2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is NXUTXVHIMBKHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-14(11-7-8-11)9-13(17-18)10-16-15(19)12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3,(H,16,19).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 71808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).