1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid

C10H13N3O3 — CID 19622515

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESO=C(CCn1cc(C(=O)O)cn1)NC1CC1
InChIInChI=1S/C10H13N3O3/c14-9(12-8-1-2-8)3-4-13-6-7(5-11-13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16)
InChIKeyPSAYALJMHKQBEH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid

1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid (PubChem CID 19622515) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
PubChem CID19622515
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESO=C(CCn1cc(C(=O)O)cn1)NC1CC1
InChIInChI=1S/C10H13N3O3/c14-9(12-8-1-2-8)3-4-13-6-7(5-11-13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16)
InChIKeyPSAYALJMHKQBEH-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
3-[4-(4-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63327873
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63338279
1-[3-(benzylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622542
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
1-[3-(4-acetamidoanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482893
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
1-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid (CID 19622515) is 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid is O=C(CCn1cc(C(=O)O)cn1)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid?
The InChIKey is PSAYALJMHKQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(12-8-1-2-8)3-4-13-6-7(5-11-13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid?
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).