1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide

C15H27N3O — CID 83280051

IUPAC1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide
SMILESCCCc1nn(C)c(CCC)c1C(=O)NCC(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-12-14(15(19)16-10-11(3)4)13(9-7-2)18(5)17-12/h11H,6-10H2,1-5H3,(H,16,19)
InChIKeySIRGGROWUMNXFU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.71
Rot. Bonds7

About 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide

1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide (PubChem CID 83280051) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide
PubChem CID83280051
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide
SMILESCCCc1nn(C)c(CCC)c1C(=O)NCC(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-12-14(15(19)16-10-11(3)4)13(9-7-2)18(5)17-12/h11H,6-10H2,1-5H3,(H,16,19)
InChIKeySIRGGROWUMNXFU-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide (CID 83280051) is 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide is CCCc1nn(C)c(CCC)c1C(=O)NCC(C)C.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide?
The InChIKey is SIRGGROWUMNXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-12-14(15(19)16-10-11(3)4)13(9-7-2)18(5)17-12/h11H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide?
1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-3,5-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 83280051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).