2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid

C9H12BrN3O2 — CID 83913791

IUPAC2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C9H12BrN3O2/c10-8-7-5(12-13-8)1-2-9(7,4-11)3-6(14)15/h1-4,11H2,(H,12,13)(H,14,15)
InChIKeySFKAYADQSMGNPQ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.79
Rot. Bonds3

About 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid

2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid (PubChem CID 83913791) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
PubChem CID83913791
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C9H12BrN3O2/c10-8-7-5(12-13-8)1-2-9(7,4-11)3-6(14)15/h1-4,11H2,(H,12,13)(H,14,15)
InChIKeySFKAYADQSMGNPQ-UHFFFAOYSA-N
XLogP0.79
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 82401217
4-Amino-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
CID 83858880
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861615
3-Tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861618
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861635
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861638
2-(3-Cyclopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861645
3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861648
2-(3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861652
4-(3-bromo-4-methyl-1H-pyrazol-5-yl)butanoic acid
CID 83900149
2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid
CID 83907779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid (CID 83913791) is 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid is NCC1(CC(=O)O)CCc2[nH]nc(Br)c21.
What is the InChIKey of 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The InChIKey is SFKAYADQSMGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-8-7-5(12-13-8)1-2-9(7,4-11)3-6(14)15/h1-4,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid has a molecular weight of 274.12 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83913791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).