N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

C12H16N4 — CID 80709626

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cnn(C)c2)nc1
InChIInChI=1S/C12H16N4/c1-10-3-4-12(14-5-10)8-13-6-11-7-15-16(2)9-11/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyXRXXQJFBJRVNRR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.41
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (PubChem CID 80709626) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
PubChem CID80709626
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cnn(C)c2)nc1
InChIInChI=1S/C12H16N4/c1-10-3-4-12(14-5-10)8-13-6-11-7-15-16(2)9-11/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyXRXXQJFBJRVNRR-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122166833
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 119128314
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 61349454
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (CID 80709626) is N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is Cc1ccc(CNCc2cnn(C)c2)nc1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The InChIKey is XRXXQJFBJRVNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-3-4-12(14-5-10)8-13-6-11-7-15-16(2)9-11/h3-5,7,9,13H,6,8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 80709626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).