2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid

C11H18N4O3 — CID 55121256

IUPAC2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
SMILESCCNC(C)CC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-12-8(2)4-10(16)14-9-5-13-15(6-9)7-11(17)18/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKCWCARAGQRDBCZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.29
Rot. Bonds7

About 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid

2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 55121256) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
PubChem CID55121256
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
SMILESCCNC(C)CC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-3-12-8(2)4-10(16)14-9-5-13-15(6-9)7-11(17)18/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKCWCARAGQRDBCZ-UHFFFAOYSA-N
XLogP0.29
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid (CID 55121256) is 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid is CCNC(C)CC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is KCWCARAGQRDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-12-8(2)4-10(16)14-9-5-13-15(6-9)7-11(17)18/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid?
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 55121256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).