6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine

C13H18N4 — CID 103816369

IUPAC6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ccc(NCc2cnn(C(C)C)c2)cn1
InChIInChI=1S/C13H18N4/c1-10(2)17-9-12(7-16-17)6-15-13-5-4-11(3)14-8-13/h4-5,7-10,15H,6H2,1-3H3
InChIKeyHRHQNYJJYAQBKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine

6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 103816369) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID103816369
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ccc(NCc2cnn(C(C)C)c2)cn1
InChIInChI=1S/C13H18N4/c1-10(2)17-9-12(7-16-17)6-15-13-5-4-11(3)14-8-13/h4-5,7-10,15H,6H2,1-3H3
InChIKeyHRHQNYJJYAQBKH-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
ethyl 4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzoate
CID 106704320
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720531
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 104599634

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine (CID 103816369) is 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine is Cc1ccc(NCc2cnn(C(C)C)c2)cn1.
What is the InChIKey of 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is HRHQNYJJYAQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)17-9-12(7-16-17)6-15-13-5-4-11(3)14-8-13/h4-5,7-10,15H,6H2,1-3H3.
What are the key properties of 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 103816369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).