5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide

C15H25N3O2 — CID 71979185

IUPAC5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCOC1(CNC(=O)c2cn[nH]c2C)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)11-16-14(19)13-10-17-18-12(13)2/h10H,3-9,11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNTMAZUQJCJMDLW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds6

About 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71979185) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71979185
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCOC1(CNC(=O)c2cn[nH]c2C)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)11-16-14(19)13-10-17-18-12(13)2/h10H,3-9,11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNTMAZUQJCJMDLW-UHFFFAOYSA-N
XLogP2.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide (CID 71979185) is 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide is CCCOC1(CNC(=O)c2cn[nH]c2C)CCCCC1.
What is the InChIKey of 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NTMAZUQJCJMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)11-16-14(19)13-10-17-18-12(13)2/h10H,3-9,11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71979185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).