2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

C14H19N3O3 — CID 120975163

IUPAC2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1ncc2c1CCCC2NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-17-12-4-2-3-11(10(12)7-15-17)16-13(18)8-5-6-9(8)14(19)20/h7-9,11H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyUEAAKYJPZQHOTH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.02
Rot. Bonds3

About 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975163) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975163
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1ncc2c1CCCC2NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-17-12-4-2-3-11(10(12)7-15-17)16-13(18)8-5-6-9(8)14(19)20/h7-9,11H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyUEAAKYJPZQHOTH-UHFFFAOYSA-N
XLogP1.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide
CID 64823360
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120975163) is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is Cn1ncc2c1CCCC2NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UEAAKYJPZQHOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-12-4-2-3-11(10(12)7-15-17)16-13(18)8-5-6-9(8)14(19)20/h7-9,11H,2-6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).