5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C16H25N3O2 — CID 167939554

IUPAC5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC1Cn2nc(C(=O)O)cc2CN1CC1CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-12-9-19-14(8-15(17-19)16(20)21)11-18(12)10-13-6-4-2-3-5-7-13/h8,12-13H,2-7,9-11H2,1H3,(H,20,21)
InChIKeyBAWNCQDLVNQJQL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.76
Rot. Bonds3

About 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 167939554) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID167939554
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCC1Cn2nc(C(=O)O)cc2CN1CC1CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-12-9-19-14(8-15(17-19)16(20)21)11-18(12)10-13-6-4-2-3-5-7-13/h8,12-13H,2-7,9-11H2,1H3,(H,20,21)
InChIKeyBAWNCQDLVNQJQL-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 91812071
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
1-(cyclobutylmethyl)pyrazole-3-carboxylic acid
CID 65459676
1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786041
N,N,5,6-tetramethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 170767419
6-(cyclohexylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
CID 155959626
4-(diethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476081
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50981218
ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 176717659
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
CID 166175457

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 167939554) is 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is CC1Cn2nc(C(=O)O)cc2CN1CC1CCCCCC1.
What is the InChIKey of 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is BAWNCQDLVNQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-19-14(8-15(17-19)16(20)21)11-18(12)10-13-6-4-2-3-5-7-13/h8,12-13H,2-7,9-11H2,1H3,(H,20,21).
What are the key properties of 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167939554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).