1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile

C13H21N5 — CID 55241355

IUPAC1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1C#N
InChIInChI=1S/C13H21N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-6,8-9H2,1-4H3
InChIKeyQUBKFHMTTWHFFD-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.99
Rot. Bonds3

About 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile (PubChem CID 55241355) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile
PubChem CID55241355
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1C#N
InChIInChI=1S/C13H21N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-6,8-9H2,1-4H3
InChIKeyQUBKFHMTTWHFFD-UHFFFAOYSA-N
XLogP0.99
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile (CID 55241355) is 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile is Cc1nn(C)c(N(C)CC2CCN(C)C2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile?
The InChIKey is QUBKFHMTTWHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-6,8-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile has a molecular weight of 247.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 55241355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).