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

C9H13N3O2 — CID 83907779

IUPAC2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCc2[nH]ncc21
InChIInChI=1S/C9H13N3O2/c10-5-9(3-8(13)14)2-1-7-6(9)4-11-12-7/h4H,1-3,5,10H2,(H,11,12)(H,13,14)
InChIKeyRIALMRWPCWDLEG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds3

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

2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid (PubChem CID 83907779) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid
PubChem CID83907779
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid
SMILESNCC1(CC(=O)O)CCc2[nH]ncc21
InChIInChI=1S/C9H13N3O2/c10-5-9(3-8(13)14)2-1-7-6(9)4-11-12-7/h4H,1-3,5,10H2,(H,11,12)(H,13,14)
InChIKeyRIALMRWPCWDLEG-UHFFFAOYSA-N
XLogP0.03
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclohexane-1-carboxylic acid
CID 165646601
3-(3-tert-butyl-1H-pyrazol-4-yl)-3,3-difluoropropanoic acid
CID 165837402
3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
CID 23006024
3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69472155
3-(2-Methylpropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69476796
Methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 102568805
(3S)-3-amino-3-(5-ethyl-1H-pyrazol-4-yl)butanoic acid
CID 122538027
2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 135349075
Spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid
CID 140506860
3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid;hydrobromide
CID 172769954
2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 174999849
3-(3-ethyl-1H-pyrazol-4-yl)propanoic acid
CID 23006023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid (CID 83907779) is 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid is NCC1(CC(=O)O)CCc2[nH]ncc21.
What is the InChIKey of 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid?
The InChIKey is RIALMRWPCWDLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-5-9(3-8(13)14)2-1-7-6(9)4-11-12-7/h4H,1-3,5,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid?
2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83907779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).