N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine

C18H20N4 — CID 75504441

IUPACN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N4/c1-21(14-9-16-7-11-19-12-8-16)15-17-3-5-18(6-4-17)22-13-2-10-20-22/h2-8,10-13H,9,14-15H2,1H3
InChIKeyRQJNVVCDFANBLC-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 75504441) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID75504441
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N4/c1-21(14-9-16-7-11-19-12-8-16)15-17-3-5-18(6-4-17)22-13-2-10-20-22/h2-8,10-13H,9,14-15H2,1H3
InChIKeyRQJNVVCDFANBLC-UHFFFAOYSA-N
XLogP2.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-3-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 56915637
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 70756938
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
CID 77082791

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine (CID 75504441) is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is RQJNVVCDFANBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21(14-9-16-7-11-19-12-8-16)15-17-3-5-18(6-4-17)22-13-2-10-20-22/h2-8,10-13H,9,14-15H2,1H3.
What are the key properties of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine?
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 292.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 75504441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).