3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C14H20N4O3 — CID 122007005

IUPAC3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCc3cn[nH]c32)C1
InChIInChI=1S/C14H20N4O3/c1-14(12(19)20)5-6-18(8-14)13(21)16-10-4-2-3-9-7-15-17-11(9)10/h7,10H,2-6,8H2,1H3,(H,15,17)(H,16,21)(H,19,20)
InChIKeyOSMBKDYHTZGJNQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.29
Rot. Bonds2

About 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 122007005) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID122007005
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCc3cn[nH]c32)C1
InChIInChI=1S/C14H20N4O3/c1-14(12(19)20)5-6-18(8-14)13(21)16-10-4-2-3-9-7-15-17-11(9)10/h7,10H,2-6,8H2,1H3,(H,15,17)(H,16,21)(H,19,20)
InChIKeyOSMBKDYHTZGJNQ-UHFFFAOYSA-N
XLogP1.29
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 128837911
3-methyl-1-[[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015160
3-methyl-1-[[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122014504
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-1,4-dicarboxamide
CID 127597421
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147544
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
CID 119787790
1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122003795
1-benzoyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-4-carboxamide
CID 136515751
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
3-methyl-1-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122017176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 122007005) is 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC2CCCc3cn[nH]c32)C1.
What is the InChIKey of 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OSMBKDYHTZGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(12(19)20)5-6-18(8-14)13(21)16-10-4-2-3-9-7-15-17-11(9)10/h7,10H,2-6,8H2,1H3,(H,15,17)(H,16,21)(H,19,20).
What are the key properties of 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122007005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).