N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C12H12Cl2F2N4O — CID 120955242

IUPACN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1n[nH]c2c(Cl)cccc12)C1CC(F)(F)CN1
InChIInChI=1S/C12H11ClF2N4O.ClH/c13-7-3-1-2-6-9(7)18-19-10(6)17-11(20)8-4-12(14,15)5-16-8;/h1-3,8,16H,4-5H2,(H2,17,18,19,20);1H
InChIKeyHUWFSGMXNGOFFF-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.57
Rot. Bonds2

About N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955242) has the molecular formula C12H12Cl2F2N4O and a molecular weight of 337.16 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955242
Molecular FormulaC12H12Cl2F2N4O
Molecular Weight337.16 g/mol
Exact Mass336.04
IUPAC NameN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1n[nH]c2c(Cl)cccc12)C1CC(F)(F)CN1
InChIInChI=1S/C12H11ClF2N4O.ClH/c13-7-3-1-2-6-9(7)18-19-10(6)17-11(20)8-4-12(14,15)5-16-8;/h1-3,8,16H,4-5H2,(H2,17,18,19,20);1H
InChIKeyHUWFSGMXNGOFFF-UHFFFAOYSA-N
XLogP2.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 120955242) is N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1n[nH]c2c(Cl)cccc12)C1CC(F)(F)CN1.
What is the InChIKey of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HUWFSGMXNGOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O.ClH/c13-7-3-1-2-6-9(7)18-19-10(6)17-11(20)8-4-12(14,15)5-16-8;/h1-3,8,16H,4-5H2,(H2,17,18,19,20);1H.
What are the key properties of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 337.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).