5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C17H18N6O2 — CID 166336282

IUPAC5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1nn(-c2ccncc2)cc1CN1CCn2nc(C(=O)O)cc2C1
InChIInChI=1S/C17H18N6O2/c1-12-13(10-23(19-12)14-2-4-18-5-3-14)9-21-6-7-22-15(11-21)8-16(20-22)17(24)25/h2-5,8,10H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyLQMMVXREEHTANX-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.49
Rot. Bonds4

About 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 166336282) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID166336282
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1nn(-c2ccncc2)cc1CN1CCn2nc(C(=O)O)cc2C1
InChIInChI=1S/C17H18N6O2/c1-12-13(10-23(19-12)14-2-4-18-5-3-14)9-21-6-7-22-15(11-21)8-16(20-22)17(24)25/h2-5,8,10H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyLQMMVXREEHTANX-UHFFFAOYSA-N
XLogP1.49
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50981218
2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
CID 166307073
1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 56885373
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596
3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56912890
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
6-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24912802
5-[(2-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048262
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
3-amino-N-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910925

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 166336282) is 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1nn(-c2ccncc2)cc1CN1CCn2nc(C(=O)O)cc2C1.
What is the InChIKey of 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is LQMMVXREEHTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-13(10-23(19-12)14-2-4-18-5-3-14)9-21-6-7-22-15(11-21)8-16(20-22)17(24)25/h2-5,8,10H,6-7,9,11H2,1H3,(H,24,25).
What are the key properties of 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).