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

C12H11ClF2N4O — CID 120955243

IUPACN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)C1CC(F)(F)CN1
InChIInChI=1S/C12H11ClF2N4O/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)
InChIKeyHMJOZGPABDTVRN-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.15
Rot. Bonds2

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

N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 120955243) has the molecular formula C12H11ClF2N4O and a molecular weight of 300.70 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID120955243
Molecular FormulaC12H11ClF2N4O
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC NameN-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)C1CC(F)(F)CN1
InChIInChI=1S/C12H11ClF2N4O/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)
InChIKeyHMJOZGPABDTVRN-UHFFFAOYSA-N
XLogP2.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.15
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?
The IUPAC name of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide (CID 120955243) is N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide is 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?
The InChIKey is HMJOZGPABDTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O/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).
What are the key properties of N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide?
N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 300.70 g/mol, XLogP of 2.15, 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 is sourced from PubChem (CID 120955243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).