N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C13H17ClN4O — CID 119683903

IUPACN-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H16N4O.ClH/c18-13(7-10-2-1-5-14-10)16-11-3-4-12-9(6-11)8-15-17-12;/h3-4,6,8,10,14H,1-2,5,7H2,(H,15,17)(H,16,18);1H
InChIKeyUHXNWSYCTJUWPA-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.07
Rot. Bonds3

About N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119683903) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119683903
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC NameN-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H16N4O.ClH/c18-13(7-10-2-1-5-14-10)16-11-3-4-12-9(6-11)8-15-17-12;/h3-4,6,8,10,14H,1-2,5,7H2,(H,15,17)(H,16,18);1H
InChIKeyUHXNWSYCTJUWPA-UHFFFAOYSA-N
XLogP2.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404
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CID 119670651
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide
CID 139022303
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-[4-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366016
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119683903) is N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is UHXNWSYCTJUWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c18-13(7-10-2-1-5-14-10)16-11-3-4-12-9(6-11)8-15-17-12;/h3-4,6,8,10,14H,1-2,5,7H2,(H,15,17)(H,16,18);1H.
What are the key properties of N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119683903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).