N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C18H20N4 — CID 56793000

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(c1ccncc1)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4/c1-15(17-8-10-19-11-9-17)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3
InChIKeyLTJACQXJMIABPI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.46
Rot. Bonds5

About N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 56793000) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID56793000
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(c1ccncc1)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4/c1-15(17-8-10-19-11-9-17)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3
InChIKeyLTJACQXJMIABPI-UHFFFAOYSA-N
XLogP3.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 95899482
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 71987033
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-butylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134037922
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199
(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 130465956
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 56793000) is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine is CC(c1ccncc1)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is LTJACQXJMIABPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-15(17-8-10-19-11-9-17)21(2)13-16-12-20-22(14-16)18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 292.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 56793000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).