5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C13H14ClN3OS — CID 71808570

IUPAC5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Cl)s2)cc1C1CC1
InChIInChI=1S/C13H14ClN3OS/c1-17-10(8-2-3-8)6-9(16-17)7-15-13(18)11-4-5-12(14)19-11/h4-6,8H,2-3,7H2,1H3,(H,15,18)
InChIKeyPORQPKMDXJMMNU-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 71808570) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID71808570
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc(Cl)s2)cc1C1CC1
InChIInChI=1S/C13H14ClN3OS/c1-17-10(8-2-3-8)6-9(16-17)7-15-13(18)11-4-5-12(14)19-11/h4-6,8H,2-3,7H2,1H3,(H,15,18)
InChIKeyPORQPKMDXJMMNU-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 71808570) is 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is Cn1nc(CNC(=O)c2ccc(Cl)s2)cc1C1CC1.
What is the InChIKey of 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PORQPKMDXJMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17-10(8-2-3-8)6-9(16-17)7-15-13(18)11-4-5-12(14)19-11/h4-6,8H,2-3,7H2,1H3,(H,15,18).
What are the key properties of 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71808570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).