3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C18H21N5O — CID 87042762

IUPAC3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cnn(CCC(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C18H21N5O/c1-15-11-21-23(13-15)9-6-18(24)19-12-16-4-2-5-17(10-16)14-22-8-3-7-20-22/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,19,24)
InChIKeyICHXTAHCGVGWCV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.14
Rot. Bonds7

About 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 87042762) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID87042762
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cnn(CCC(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C18H21N5O/c1-15-11-21-23(13-15)9-6-18(24)19-12-16-4-2-5-17(10-16)14-22-8-3-7-20-22/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,19,24)
InChIKeyICHXTAHCGVGWCV-UHFFFAOYSA-N
XLogP2.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040695
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954134
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953512

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 87042762) is 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is Cc1cnn(CCC(=O)NCc2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is ICHXTAHCGVGWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-15-11-21-23(13-15)9-6-18(24)19-12-16-4-2-5-17(10-16)14-22-8-3-7-20-22/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,19,24).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 87042762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).