N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide

C18H21N5O — CID 45169167

IUPACN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cc2ccn(C)c2)cnn1-c1ccccn1
InChIInChI=1S/C18H21N5O/c1-13(21-18(24)10-15-7-9-22(3)12-15)16-11-20-23(14(16)2)17-6-4-5-8-19-17/h4-9,11-13H,10H2,1-3H3,(H,21,24)
InChIKeyDZHXMVWKCKSLCG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide (PubChem CID 45169167) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
PubChem CID45169167
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cc2ccn(C)c2)cnn1-c1ccccn1
InChIInChI=1S/C18H21N5O/c1-13(21-18(24)10-15-7-9-22(3)12-15)16-11-20-23(14(16)2)17-6-4-5-8-19-17/h4-9,11-13H,10H2,1-3H3,(H,21,24)
InChIKeyDZHXMVWKCKSLCG-UHFFFAOYSA-N
XLogP2.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
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N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
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N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 5200441
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide?
The IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide (CID 45169167) is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide?
The canonical SMILES for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide is Cc1c(C(C)NC(=O)Cc2ccn(C)c2)cnn1-c1ccccn1.
What is the InChIKey of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide?
The InChIKey is DZHXMVWKCKSLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(21-18(24)10-15-7-9-22(3)12-15)16-11-20-23(14(16)2)17-6-4-5-8-19-17/h4-9,11-13H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide?
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide is sourced from PubChem (CID 45169167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).