N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide

C14H18N4O2 — CID 103120595

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2ccccc12)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H18N4O2/c1-17(11-7-15-8-12(11)19)14(20)13-9-5-3-4-6-10(9)18(2)16-13/h3-6,11-12,15,19H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyDDABWXBGSDWHIO-VXGBXAGGSA-N
MW274.32 g/mol
LogP-0.02
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide (PubChem CID 103120595) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide
PubChem CID103120595
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2ccccc12)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H18N4O2/c1-17(11-7-15-8-12(11)19)14(20)13-9-5-3-4-6-10(9)18(2)16-13/h3-6,11-12,15,19H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyDDABWXBGSDWHIO-VXGBXAGGSA-N
XLogP-0.02
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-(thian-4-yl)indazole-3-carboxamide
CID 91831463
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 43596000
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide (CID 103120595) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide is CN(C(=O)c1nn(C)c2ccccc12)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide?
The InChIKey is DDABWXBGSDWHIO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(11-7-15-8-12(11)19)14(20)13-9-5-3-4-6-10(9)18(2)16-13/h3-6,11-12,15,19H,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 103120595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).