N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C14H18ClN3O — CID 106354930

IUPACN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-10(2)12(6-7-15)17-14(19)11-9-16-18-8-4-3-5-13(11)18/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,19)
InChIKeyAPLLQRBKOWNSLB-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.72
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 106354930) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID106354930
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-10(2)12(6-7-15)17-14(19)11-9-16-18-8-4-3-5-13(11)18/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,19)
InChIKeyAPLLQRBKOWNSLB-UHFFFAOYSA-N
XLogP2.72
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.72
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

N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122641
N-(1-chloro-4-methylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122593
N-(1-chloro-4-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114211896
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
N-(4-hydroxypentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113384187
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122664
N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120449
N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 106354930) is N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)C(CCCl)NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is APLLQRBKOWNSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)12(6-7-15)17-14(19)11-9-16-18-8-4-3-5-13(11)18/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 106354930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).