N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide

C17H24N4O2 — CID 136587957

IUPACN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(C2CC2)n1
InChIInChI=1S/C17H24N4O2/c1-2-21-10-12(15(20-21)11-6-7-11)16(23)19-17-8-4-3-5-13(17)18-14(22)9-17/h10-11,13H,2-9H2,1H3,(H,18,22)(H,19,23)/t13-,17+/m0/s1
InChIKeyOHGQLFPXNXYGDU-SUMWQHHRSA-N
MW316.41 g/mol
LogP1.71
Rot. Bonds4

About N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide

N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide (PubChem CID 136587957) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide
PubChem CID136587957
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(C2CC2)n1
InChIInChI=1S/C17H24N4O2/c1-2-21-10-12(15(20-21)11-6-7-11)16(23)19-17-8-4-3-5-13(17)18-14(22)9-17/h10-11,13H,2-9H2,1H3,(H,18,22)(H,19,23)/t13-,17+/m0/s1
InChIKeyOHGQLFPXNXYGDU-SUMWQHHRSA-N
XLogP1.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide (CID 136587957) is N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(C2CC2)n1.
What is the InChIKey of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide?
The InChIKey is OHGQLFPXNXYGDU-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-21-10-12(15(20-21)11-6-7-11)16(23)19-17-8-4-3-5-13(17)18-14(22)9-17/h10-11,13H,2-9H2,1H3,(H,18,22)(H,19,23)/t13-,17+/m0/s1.
What are the key properties of N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide?
N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 136587957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).