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

C15H25N3O2 — CID 71979184

IUPAC1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide
SMILESCCCOC1(CNC(=O)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)12-16-14(19)13-10-17-18(2)11-13/h10-11H,3-9,12H2,1-2H3,(H,16,19)
InChIKeyZXALCCUHPINHJA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds6

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

1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide (PubChem CID 71979184) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide
PubChem CID71979184
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide
SMILESCCCOC1(CNC(=O)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)12-16-14(19)13-10-17-18(2)11-13/h10-11H,3-9,12H2,1-2H3,(H,16,19)
InChIKeyZXALCCUHPINHJA-UHFFFAOYSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide (CID 71979184) is 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide is CCCOC1(CNC(=O)c2cnn(C)c2)CCCCC1.
What is the InChIKey of 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZXALCCUHPINHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-20-15(7-5-4-6-8-15)12-16-14(19)13-10-17-18(2)11-13/h10-11H,3-9,12H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71979184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).