3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide

C16H26N4O2 — CID 121279534

IUPAC3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C16H26N4O2/c1-10(2)7-15(21)17-12-5-6-20(9-12)16(22)14-8-13(11(3)4)18-19-14/h8,10-12H,5-7,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyIJBOJLLGNQPJTF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.91
Rot. Bonds5

About 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide

3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide (PubChem CID 121279534) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide
PubChem CID121279534
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C16H26N4O2/c1-10(2)7-15(21)17-12-5-6-20(9-12)16(22)14-8-13(11(3)4)18-19-14/h8,10-12H,5-7,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyIJBOJLLGNQPJTF-UHFFFAOYSA-N
XLogP1.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide (CID 121279534) is 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide is CC(C)CC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide?
The InChIKey is IJBOJLLGNQPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10(2)7-15(21)17-12-5-6-20(9-12)16(22)14-8-13(11(3)4)18-19-14/h8,10-12H,5-7,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide?
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 121279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).