1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile

C13H15N5 — CID 63758719

IUPAC1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
SMILESCc1ccc(CNc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C13H15N5/c1-9-4-5-11(7-15-9)8-16-13-12(6-14)10(2)17-18(13)3/h4-5,7,16H,8H2,1-3H3
InChIKeyQKJBXWQMGKGFGP-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.92
Rot. Bonds3

About 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile (PubChem CID 63758719) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
PubChem CID63758719
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
SMILESCc1ccc(CNc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C13H15N5/c1-9-4-5-11(7-15-9)8-16-13-12(6-14)10(2)17-18(13)3/h4-5,7,16H,8H2,1-3H3
InChIKeyQKJBXWQMGKGFGP-UHFFFAOYSA-N
XLogP1.92
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63758024
4-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63756783
1,3-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 60965735
1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63757340
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106034545
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
3-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63757309
1,3-dimethyl-5-[(3-nitrophenyl)methylamino]pyrazole-4-carbonitrile
CID 63757170
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile (CID 63758719) is 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile is Cc1ccc(CNc2c(C#N)c(C)nn2C)cn1.
What is the InChIKey of 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile?
The InChIKey is QKJBXWQMGKGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-4-5-11(7-15-9)8-16-13-12(6-14)10(2)17-18(13)3/h4-5,7,16H,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63758719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).