N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H24N4O2 — CID 91829063

IUPACN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H24N4O2/c21-16(15-11-5-1-2-6-12(11)18-19-15)17-13-9-22-10-14(13)20-7-3-4-8-20/h13-14H,1-10H2,(H,17,21)(H,18,19)/t13-,14-/m0/s1
InChIKeyUAJVDMIUMUPUKF-KBPBESRZSA-N
MW304.39 g/mol
LogP0.88
Rot. Bonds3

About N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91829063) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91829063
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H24N4O2/c21-16(15-11-5-1-2-6-12(11)18-19-15)17-13-9-22-10-14(13)20-7-3-4-8-20/h13-14H,1-10H2,(H,17,21)(H,18,19)/t13-,14-/m0/s1
InChIKeyUAJVDMIUMUPUKF-KBPBESRZSA-N
XLogP0.88
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91829063) is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is UAJVDMIUMUPUKF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(15-11-5-1-2-6-12(11)18-19-15)17-13-9-22-10-14(13)20-7-3-4-8-20/h13-14H,1-10H2,(H,17,21)(H,18,19)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91829063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).