1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide

C14H20N4O2 — CID 164630540

IUPAC1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)N[C@H]2CCCc3nn(C)cc32)C1
InChIInChI=1S/C14H20N4O2/c1-9(19)18-6-10(7-18)14(20)15-12-4-3-5-13-11(12)8-17(2)16-13/h8,10,12H,3-7H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyNEONTJYFVVOIRB-LBPRGKRZSA-N
MW276.34 g/mol
LogP0.39
Rot. Bonds2

About 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide

1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide (PubChem CID 164630540) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide
PubChem CID164630540
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)N[C@H]2CCCc3nn(C)cc32)C1
InChIInChI=1S/C14H20N4O2/c1-9(19)18-6-10(7-18)14(20)15-12-4-3-5-13-11(12)8-17(2)16-13/h8,10,12H,3-7H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyNEONTJYFVVOIRB-LBPRGKRZSA-N
XLogP0.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide (CID 164630540) is 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)N[C@H]2CCCc3nn(C)cc32)C1.
What is the InChIKey of 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide?
The InChIKey is NEONTJYFVVOIRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(19)18-6-10(7-18)14(20)15-12-4-3-5-13-11(12)8-17(2)16-13/h8,10,12H,3-7H2,1-2H3,(H,15,20)/t12-/m0/s1.
What are the key properties of 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide?
1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 164630540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).