3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide

C14H18N4O — CID 35762699

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(CCC(=O)NCc2ccccn2)cnn1C
InChIInChI=1S/C14H18N4O/c1-11-12(9-17-18(11)2)6-7-14(19)16-10-13-5-3-4-8-15-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyNNGYNNIYIJYMMQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.37
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 35762699) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID35762699
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(CCC(=O)NCc2ccccn2)cnn1C
InChIInChI=1S/C14H18N4O/c1-11-12(9-17-18(11)2)6-7-14(19)16-10-13-5-3-4-8-15-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyNNGYNNIYIJYMMQ-UHFFFAOYSA-N
XLogP1.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388436
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388696
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[1-(2-methoxyethyl)indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71701153
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 35762699) is 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1c(CCC(=O)NCc2ccccn2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is NNGYNNIYIJYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-12(9-17-18(11)2)6-7-14(19)16-10-13-5-3-4-8-15-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 35762699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).