N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide

C13H15N3OS — CID 42879294

IUPACN-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccsc2)cc1C(=O)NC1CC1
InChIInChI=1S/C13H15N3OS/c1-2-16-12(13(17)14-10-3-4-10)7-11(15-16)9-5-6-18-8-9/h5-8,10H,2-4H2,1H3,(H,14,17)
InChIKeyMBXSWUVFSMNRIT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.52
Rot. Bonds4

About N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide

N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide (PubChem CID 42879294) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
PubChem CID42879294
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccsc2)cc1C(=O)NC1CC1
InChIInChI=1S/C13H15N3OS/c1-2-16-12(13(17)14-10-3-4-10)7-11(15-16)9-5-6-18-8-9/h5-8,10H,2-4H2,1H3,(H,14,17)
InChIKeyMBXSWUVFSMNRIT-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide (CID 42879294) is N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide is CCn1nc(-c2ccsc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide?
The InChIKey is MBXSWUVFSMNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-16-12(13(17)14-10-3-4-10)7-11(15-16)9-5-6-18-8-9/h5-8,10H,2-4H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide?
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42879294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).