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

C14H20N4 — CID 103823917

IUPAC5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cn(C)nc2C(C)C)c1
InChIInChI=1S/C14H20N4/c1-10(2)14-12(9-18(4)17-14)7-16-13-5-11(3)6-15-8-13/h5-6,8-10,16H,7H2,1-4H3
InChIKeyJOPRAQHVMWBJBB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.86
Rot. Bonds4

About 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine

5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 103823917) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID103823917
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cn(C)nc2C(C)C)c1
InChIInChI=1S/C14H20N4/c1-10(2)14-12(9-18(4)17-14)7-16-13-5-11(3)6-15-8-13/h5-6,8-10,16H,7H2,1-4H3
InChIKeyJOPRAQHVMWBJBB-UHFFFAOYSA-N
XLogP2.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103887758
3-bromo-4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 55201550
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 43759218
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 43769110
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
2,4-dibromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43780921
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine (CID 103823917) is 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine is Cc1cncc(NCc2cn(C)nc2C(C)C)c1.
What is the InChIKey of 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is JOPRAQHVMWBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)14-12(9-18(4)17-14)7-16-13-5-11(3)6-15-8-13/h5-6,8-10,16H,7H2,1-4H3.
What are the key properties of 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine?
5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 103823917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).