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

C18H20N4OS — CID 45182393

IUPACN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1c(C(C)NC(=O)CCc2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N4OS/c1-13(21-18(23)9-8-15-6-5-11-24-15)16-12-20-22(14(16)2)17-7-3-4-10-19-17/h3-7,10-13H,8-9H2,1-2H3,(H,21,23)
InChIKeyBWNORXKVJQNWHB-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.45
Rot. Bonds6

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

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 45182393) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID45182393
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1c(C(C)NC(=O)CCc2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N4OS/c1-13(21-18(23)9-8-15-6-5-11-24-15)16-12-20-22(14(16)2)17-7-3-4-10-19-17/h3-7,10-13H,8-9H2,1-2H3,(H,21,23)
InChIKeyBWNORXKVJQNWHB-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.45
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]-3-morpholin-4-ylpropanamide
CID 45235386
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 45169167
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
CID 45228613
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45229538
6-methyl-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 42533149
5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 42521314
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 61272120
2-methyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97148874
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425848
(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 97103526
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 45182393) is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide is Cc1c(C(C)NC(=O)CCc2cccs2)cnn1-c1ccccn1.
What is the InChIKey of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is BWNORXKVJQNWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13(21-18(23)9-8-15-6-5-11-24-15)16-12-20-22(14(16)2)17-7-3-4-10-19-17/h3-7,10-13H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 3.45, 6 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]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 45182393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).