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

C10H14ClN3O — CID 167840631

IUPAC2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(CCl)NCc1cc2n(n1)CCCC2
InChIInChI=1S/C10H14ClN3O/c11-6-10(15)12-7-8-5-9-3-1-2-4-14(9)13-8/h5H,1-4,6-7H2,(H,12,15)
InChIKeyJZOBHEGYLQQARA-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.07
Rot. Bonds3

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

2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide (PubChem CID 167840631) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
PubChem CID167840631
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(CCl)NCc1cc2n(n1)CCCC2
InChIInChI=1S/C10H14ClN3O/c11-6-10(15)12-7-8-5-9-3-1-2-4-14(9)13-8/h5H,1-4,6-7H2,(H,12,15)
InChIKeyJZOBHEGYLQQARA-UHFFFAOYSA-N
XLogP1.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 126834604
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126828401
3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid
CID 166258602
2-(azocan-1-yl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70759919
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 166250133
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 89402114
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 118793253
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]cyclopropan-1-amine
CID 105458179
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide (CID 167840631) is 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide is O=C(CCl)NCc1cc2n(n1)CCCC2.
What is the InChIKey of 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide?
The InChIKey is JZOBHEGYLQQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-6-10(15)12-7-8-5-9-3-1-2-4-14(9)13-8/h5H,1-4,6-7H2,(H,12,15).
What are the key properties of 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide?
2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 167840631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).