N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C11H13N3OS — CID 45147147

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C11H13N3OS/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15)
InChIKeyLVVVERMTXZBTSJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 45147147) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID45147147
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C11H13N3OS/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15)
InChIKeyLVVVERMTXZBTSJ-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473949

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 45147147) is N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is LVVVERMTXZBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45147147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).