1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C13H17ClN4 — CID 105148183

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-8-18-12(5-7-17-18)13(15-2)10-4-6-16-9-11(10)14/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyJTEQKWLPJAXPOY-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 105148183) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID105148183
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-8-18-12(5-7-17-18)13(15-2)10-4-6-16-9-11(10)14/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyJTEQKWLPJAXPOY-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332001
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857493

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 105148183) is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is JTEQKWLPJAXPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-8-18-12(5-7-17-18)13(15-2)10-4-6-16-9-11(10)14/h4-7,9,13,15H,3,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 264.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105148183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).