2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid

C10H15N3O2 — CID 105462924

IUPAC2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid
SMILESNC1(CCc2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C10H15N3O2/c11-10(3-4-10)2-1-8-5-12-13(6-8)7-9(14)15/h5-6H,1-4,7,11H2,(H,14,15)
InChIKeySTQAAQCFNIKNQP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds5

About 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid

2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid (PubChem CID 105462924) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid
PubChem CID105462924
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid
SMILESNC1(CCc2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C10H15N3O2/c11-10(3-4-10)2-1-8-5-12-13(6-8)7-9(14)15/h5-6H,1-4,7,11H2,(H,14,15)
InChIKeySTQAAQCFNIKNQP-UHFFFAOYSA-N
XLogP0.39
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile
CID 105444419
2-[4-[(1-aminocyclopropyl)methyl]pyrazol-1-yl]ethanol
CID 105439525
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid
CID 79694737
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 122240516
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
CID 63328089
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458127
ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
CID 122240626
3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84767566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid (CID 105462924) is 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid is NC1(CCc2cnn(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid?
The InChIKey is STQAAQCFNIKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(3-4-10)2-1-8-5-12-13(6-8)7-9(14)15/h5-6H,1-4,7,11H2,(H,14,15).
What are the key properties of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid?
2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 105462924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).