5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid

C10H10N4O2 — CID 12003601

IUPAC5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(n1cccn1)C2
InChIInChI=1S/C10H10N4O2/c15-10(16)9-7-4-6(5-8(7)12-13-9)14-3-1-2-11-14/h1-3,6H,4-5H2,(H,12,13)(H,15,16)
InChIKeySEVACDRXXJKSAI-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.64
Rot. Bonds2

About 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid

5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 12003601) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID12003601
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(n1cccn1)C2
InChIInChI=1S/C10H10N4O2/c15-10(16)9-7-4-6(5-8(7)12-13-9)14-3-1-2-11-14/h1-3,6H,4-5H2,(H,12,13)(H,15,16)
InChIKeySEVACDRXXJKSAI-UHFFFAOYSA-N
XLogP0.64
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-amino-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 99996666
N-[(3R)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 155480043
5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 83915632
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
CID 126900137
5-(2-methoxy-3-pyridinyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 12003491
6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 83854750
1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepine-3-carboxylic acid
CID 83862837
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126946602
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110
5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 126900088
5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid
CID 90036831
(4aS)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid;ethane
CID 166113355

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (CID 12003601) is 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(n1cccn1)C2.
What is the InChIKey of 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is SEVACDRXXJKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)9-7-4-6(5-8(7)12-13-9)14-3-1-2-11-14/h1-3,6H,4-5H2,(H,12,13)(H,15,16).
What are the key properties of 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 12003601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).