1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C12H15ClN4 — CID 105074627

IUPAC1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11-7-15-5-4-10(11)6-14-3/h4-5,7,14H,6H2,1-3H3
InChIKeyCNZKNFIUJXBBKS-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.26
Rot. Bonds3

About 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105074627) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105074627
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11-7-15-5-4-10(11)6-14-3/h4-5,7,14H,6H2,1-3H3
InChIKeyCNZKNFIUJXBBKS-UHFFFAOYSA-N
XLogP2.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine
CID 104778675
N-methyl-1-[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 105074738
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
CID 114216739
2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074709
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 130877424
6-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
CID 106948537
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760315
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
4-chloro-1-[4-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846877

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 105074627) is 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is CNZKNFIUJXBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11-7-15-5-4-10(11)6-14-3/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105074627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).