5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

C11H14N4OS — CID 79487631

IUPAC5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H14N4OS/c1-15(5-4-8-3-2-6-17-8)11(16)9-7-13-14-10(9)12/h2-3,6-7H,4-5H2,1H3,(H3,12,13,14)
InChIKeyNWURLOFCDPNNIB-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.37
Rot. Bonds4

About 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 79487631) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID79487631
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H14N4OS/c1-15(5-4-8-3-2-6-17-8)11(16)9-7-13-14-10(9)12/h2-3,6-7H,4-5H2,1H3,(H3,12,13,14)
InChIKeyNWURLOFCDPNNIB-UHFFFAOYSA-N
XLogP1.37
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (CID 79487631) is 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is CN(CCc1cccs1)C(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NWURLOFCDPNNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15(5-4-8-3-2-6-17-8)11(16)9-7-13-14-10(9)12/h2-3,6-7H,4-5H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79487631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).