2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide

C15H25N3O — CID 154687778

IUPAC2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide
SMILESCC(C)CCn1cc(C2(NC(=O)C(C)C)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-11(2)5-8-18-10-13(9-16-18)15(6-7-15)17-14(19)12(3)4/h9-12H,5-8H2,1-4H3,(H,17,19)
InChIKeyBGVVJVQPIGZXSV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide

2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide (PubChem CID 154687778) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide
PubChem CID154687778
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide
SMILESCC(C)CCn1cc(C2(NC(=O)C(C)C)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-11(2)5-8-18-10-13(9-16-18)15(6-7-15)17-14(19)12(3)4/h9-12H,5-8H2,1-4H3,(H,17,19)
InChIKeyBGVVJVQPIGZXSV-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide?
The IUPAC name of 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide (CID 154687778) is 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide is CC(C)CCn1cc(C2(NC(=O)C(C)C)CC2)cn1.
What is the InChIKey of 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide?
The InChIKey is BGVVJVQPIGZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)5-8-18-10-13(9-16-18)15(6-7-15)17-14(19)12(3)4/h9-12H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide?
2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide is sourced from PubChem (CID 154687778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).