5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

C13H14ClN3OS — CID 91629664

IUPAC5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c14-12-5-4-11(19-12)13(18)15-7-9-8-16-17-6-2-1-3-10(9)17/h4-5,8H,1-3,6-7H2,(H,15,18)
InChIKeyQNQAJWYUWDGSGB-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 91629664) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID91629664
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c14-12-5-4-11(19-12)13(18)15-7-9-8-16-17-6-2-1-3-10(9)17/h4-5,8H,1-3,6-7H2,(H,15,18)
InChIKeyQNQAJWYUWDGSGB-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-(difluoromethoxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 136570872
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 91629613
(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 129354971
2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 91629669
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254573
5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 90536055
3-chloro-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 91629714
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 91629664) is 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cnn2c1CCCC2)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is QNQAJWYUWDGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-12-5-4-11(19-12)13(18)15-7-9-8-16-17-6-2-1-3-10(9)17/h4-5,8H,1-3,6-7H2,(H,15,18).
What are the key properties of 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 91629664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).