N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C11H14N4OS — CID 119499933

IUPACN-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C11H14N4OS/c1-12-4-5-13-11(16)9-7-8(14-15-9)10-3-2-6-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyBHAVRCHDWDLJSR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119499933) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119499933
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C11H14N4OS/c1-12-4-5-13-11(16)9-7-8(14-15-9)10-3-2-6-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyBHAVRCHDWDLJSR-UHFFFAOYSA-N
XLogP1.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
4-methyl-2-oxo-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990240
methyl 6-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate
CID 131990251
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 119499933) is N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CNCCNC(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BHAVRCHDWDLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-12-4-5-13-11(16)9-7-8(14-15-9)10-3-2-6-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119499933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).