(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide

C12H14N4O — CID 113263883

IUPAC(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN1
InChIInChI=1S/C12H14N4O/c17-12(10-5-2-6-13-10)15-9-4-1-3-8-7-14-16-11(8)9/h1,3-4,7,10,13H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyVUXKIPJCDDAWDA-SNVBAGLBSA-N
MW230.27 g/mol
LogP1.25
Rot. Bonds2

About (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide

(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide (PubChem CID 113263883) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
PubChem CID113263883
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN1
InChIInChI=1S/C12H14N4O/c17-12(10-5-2-6-13-10)15-9-4-1-3-8-7-14-16-11(8)9/h1,3-4,7,10,13H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyVUXKIPJCDDAWDA-SNVBAGLBSA-N
XLogP1.25
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide (CID 113263883) is (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide is O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is VUXKIPJCDDAWDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(10-5-2-6-13-10)15-9-4-1-3-8-7-14-16-11(8)9/h1,3-4,7,10,13H,2,5-6H2,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide?
(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 113263883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).