N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H20N4O — CID 47134470

IUPACN-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1ccncc1
InChIInChI=1S/C15H20N4O/c1-11-14(12(2)19(3)18-11)4-5-15(20)17-10-13-6-8-16-9-7-13/h6-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyLKYVDKWQEHFCCQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.68
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 47134470) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID47134470
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1ccncc1
InChIInChI=1S/C15H20N4O/c1-11-14(12(2)19(3)18-11)4-5-15(20)17-10-13-6-8-16-9-7-13/h6-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyLKYVDKWQEHFCCQ-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 36873203

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 47134470) is N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LKYVDKWQEHFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-14(12(2)19(3)18-11)4-5-15(20)17-10-13-6-8-16-9-7-13/h6-9H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47134470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).