2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid

C8H9N3O2 — CID 137182463

IUPAC2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2cc[nH]c21
InChIInChI=1S/C8H9N3O2/c1-11-8-5(2-3-9-8)6(10-11)4-7(12)13/h2-3,9H,4H2,1H3,(H,12,13)
InChIKeyPETJJHULIGXZNT-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.53
Rot. Bonds2

About 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid

2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid (PubChem CID 137182463) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid
PubChem CID137182463
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2cc[nH]c21
InChIInChI=1S/C8H9N3O2/c1-11-8-5(2-3-9-8)6(10-11)4-7(12)13/h2-3,9H,4H2,1H3,(H,12,13)
InChIKeyPETJJHULIGXZNT-UHFFFAOYSA-N
XLogP0.53
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
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2-(1,5-dimethylfuro[3,2-c]pyrazol-3-yl)acetic acid
CID 96623386
2-[5-(5-bromo-2-fluorophenyl)-1,4-dimethylpyrazol-3-yl]acetic acid
CID 84607458
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
2-(5-amino-4-cyano-1-methylpyrazol-3-yl)acetic acid
CID 83856514
2-(1-methylindazol-3-yl)acetamide
CID 67465474
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
CID 174727821
2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
CID 174763150
2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid
CID 19013396
2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
CID 84660521

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid (CID 137182463) is 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid is Cn1nc(CC(=O)O)c2cc[nH]c21.
What is the InChIKey of 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid?
The InChIKey is PETJJHULIGXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-11-8-5(2-3-9-8)6(10-11)4-7(12)13/h2-3,9H,4H2,1H3,(H,12,13).
What are the key properties of 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid?
2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid has a molecular weight of 179.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6H-pyrrolo[2,3-c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 137182463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).