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

C12H15ClN4 — CID 106755909

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccnc(C)c1)c1c(Cl)cnn1C
InChIInChI=1S/C12H15ClN4/c1-8-6-9(4-5-15-8)11(14-2)12-10(13)7-16-17(12)3/h4-7,11,14H,1-3H3
InChIKeyAJJNRJCOHKJVMQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.09
Rot. Bonds3

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

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (PubChem CID 106755909) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
PubChem CID106755909
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
SMILESCNC(c1ccnc(C)c1)c1c(Cl)cnn1C
InChIInChI=1S/C12H15ClN4/c1-8-6-9(4-5-15-8)11(14-2)12-10(13)7-16-17(12)3/h4-7,11,14H,1-3H3
InChIKeyAJJNRJCOHKJVMQ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105046678
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105185977
1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
2-[4-chloro-5-[hydrazinyl-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
CID 114659233
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine (CID 106755909) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is CNC(c1ccnc(C)c1)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is AJJNRJCOHKJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-6-9(4-5-15-8)11(14-2)12-10(13)7-16-17(12)3/h4-7,11,14H,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106755909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).