2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide

C14H20N4OS — CID 61334554

IUPAC2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCCc1ccc(C(C)Nc2cnn(CC(=O)NC)c2)s1
InChIInChI=1S/C14H20N4OS/c1-4-12-5-6-13(20-12)10(2)17-11-7-16-18(8-11)9-14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19)
InChIKeyAHKWXFYWDSJZDI-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 61334554) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID61334554
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCCc1ccc(C(C)Nc2cnn(CC(=O)NC)c2)s1
InChIInChI=1S/C14H20N4OS/c1-4-12-5-6-13(20-12)10(2)17-11-7-16-18(8-11)9-14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19)
InChIKeyAHKWXFYWDSJZDI-UHFFFAOYSA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 63752931
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
5-[1-(5-ethylthiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 61334552
N-cyclopropyl-2-[4-(1-thiophen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 60931705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide (CID 61334554) is 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide is CCc1ccc(C(C)Nc2cnn(CC(=O)NC)c2)s1.
What is the InChIKey of 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is AHKWXFYWDSJZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-12-5-6-13(20-12)10(2)17-11-7-16-18(8-11)9-14(19)15-3/h5-8,10,17H,4,9H2,1-3H3,(H,15,19).
What are the key properties of 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 292.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 61334554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).