2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C15H21N5O — CID 56824974

IUPAC2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCCC1c1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-12(10-19-7-4-6-16-19)15(21)20-8-3-5-14(20)13-9-17-18(2)11-13/h4,6-7,9,11-12,14H,3,5,8,10H2,1-2H3
InChIKeyPWNHFFBYWIAVSM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.62
Rot. Bonds4

About 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 56824974) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID56824974
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCCC1c1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-12(10-19-7-4-6-16-19)15(21)20-8-3-5-14(20)13-9-17-18(2)11-13/h4,6-7,9,11-12,14H,3,5,8,10H2,1-2H3
InChIKeyPWNHFFBYWIAVSM-UHFFFAOYSA-N
XLogP1.62
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 56824974) is 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is CC(Cn1cccn1)C(=O)N1CCCC1c1cnn(C)c1.
What is the InChIKey of 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is PWNHFFBYWIAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(10-19-7-4-6-16-19)15(21)20-8-3-5-14(20)13-9-17-18(2)11-13/h4,6-7,9,11-12,14H,3,5,8,10H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 56824974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).