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

C16H15ClN4 — CID 107332001

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccncc1Cl)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H15ClN4/c1-18-16(13-7-9-19-11-14(13)17)15-8-10-20-21(15)12-5-3-2-4-6-12/h2-11,16,18H,1H3
InChIKeyFDRWQOWMAQNKIZ-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.23
Rot. Bonds4

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

1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107332001) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107332001
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccncc1Cl)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H15ClN4/c1-18-16(13-7-9-19-11-14(13)17)15-8-10-20-21(15)12-5-3-2-4-6-12/h2-11,16,18H,1H3
InChIKeyFDRWQOWMAQNKIZ-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330821
N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332076
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine (CID 107332001) is 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine is CNC(c1ccncc1Cl)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is FDRWQOWMAQNKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-18-16(13-7-9-19-11-14(13)17)15-8-10-20-21(15)12-5-3-2-4-6-12/h2-11,16,18H,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 298.78 g/mol, XLogP of 3.23, 4 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-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107332001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).