2-(1H-pyrazol-4-ylamino)butanoic acid

C7H11N3O2 — CID 115352398

IUPAC2-(1H-pyrazol-4-ylamino)butanoic acid
SMILESCCC(Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-2-6(7(11)12)10-5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9)(H,11,12)
InChIKeyBITPJOTWIHCLMS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.68
Rot. Bonds4

About 2-(1H-pyrazol-4-ylamino)butanoic acid

2-(1H-pyrazol-4-ylamino)butanoic acid (PubChem CID 115352398) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-4-ylamino)butanoic acid
PubChem CID115352398
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(1H-pyrazol-4-ylamino)butanoic acid
SMILESCCC(Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-2-6(7(11)12)10-5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9)(H,11,12)
InChIKeyBITPJOTWIHCLMS-UHFFFAOYSA-N
XLogP0.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid
CID 172756279
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209823
(2S)-3-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209878
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
CID 114007193

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-ylamino)butanoic acid?
The IUPAC name of 2-(1H-pyrazol-4-ylamino)butanoic acid (CID 115352398) is 2-(1H-pyrazol-4-ylamino)butanoic acid.
What is the SMILES notation for 2-(1H-pyrazol-4-ylamino)butanoic acid?
The canonical SMILES for 2-(1H-pyrazol-4-ylamino)butanoic acid is CCC(Nc1cn[nH]c1)C(=O)O.
What is the InChIKey of 2-(1H-pyrazol-4-ylamino)butanoic acid?
The InChIKey is BITPJOTWIHCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-6(7(11)12)10-5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-ylamino)butanoic acid?
2-(1H-pyrazol-4-ylamino)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-ylamino)butanoic acid is sourced from PubChem (CID 115352398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).