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

C17H18N4 — CID 114954910

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCc1ccncc1CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4/c1-14-7-8-18-11-16(14)12-19-9-15-10-20-21(13-15)17-5-3-2-4-6-17/h2-8,10-11,13,19H,9,12H2,1H3
InChIKeyBYBNPMBKMQQFLH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.87
Rot. Bonds5

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

N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 114954910) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID114954910
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCc1ccncc1CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4/c1-14-7-8-18-11-16(14)12-19-9-15-10-20-21(13-15)17-5-3-2-4-6-17/h2-8,10-11,13,19H,9,12H2,1H3
InChIKeyBYBNPMBKMQQFLH-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
2-ethyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 103702185
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine (CID 114954910) is N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine is Cc1ccncc1CNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is BYBNPMBKMQQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14-7-8-18-11-16(14)12-19-9-15-10-20-21(13-15)17-5-3-2-4-6-17/h2-8,10-11,13,19H,9,12H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 114954910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).