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

C17H18N4 — CID 107332076

IUPACN-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccnc(C)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-12-14(8-10-19-13)17(18-2)16-9-11-20-21(16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3
InChIKeyPXTUROJQTYFYJP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.88
Rot. Bonds4

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

N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107332076) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107332076
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccnc(C)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-12-14(8-10-19-13)17(18-2)16-9-11-20-21(16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3
InChIKeyPXTUROJQTYFYJP-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332001
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
[(5-methylpyrazin-2-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332508
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755205

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine (CID 107332076) is N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine is CNC(c1ccnc(C)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is PXTUROJQTYFYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-12-14(8-10-19-13)17(18-2)16-9-11-20-21(16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine?
N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107332076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).