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

C15H20N4O2 — CID 122566172

IUPACN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H20N4O2/c16-14(20)10-6-2-3-7-11(10)17-15(21)13-9-5-1-4-8-12(9)18-19-13/h2-3,10-11H,1,4-8H2,(H2,16,20)(H,17,21)(H,18,19)/t10-,11-/m1/s1
InChIKeyKIHSGUBSYBTUMQ-GHMZBOCLSA-N
MW288.35 g/mol
LogP0.84
Rot. Bonds3

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

N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 122566172) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID122566172
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H20N4O2/c16-14(20)10-6-2-3-7-11(10)17-15(21)13-9-5-1-4-8-12(9)18-19-13/h2-3,10-11H,1,4-8H2,(H2,16,20)(H,17,21)(H,18,19)/t10-,11-/m1/s1
InChIKeyKIHSGUBSYBTUMQ-GHMZBOCLSA-N
XLogP0.84
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 122566172) is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is KIHSGUBSYBTUMQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-14(20)10-6-2-3-7-11(10)17-15(21)13-9-5-1-4-8-12(9)18-19-13/h2-3,10-11H,1,4-8H2,(H2,16,20)(H,17,21)(H,18,19)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 122566172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).