4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid

C7H10ClN3O2 — CID 83881695

IUPAC4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid
SMILESNCCCc1c(C(=O)O)n[nH]c1Cl
InChIInChI=1S/C7H10ClN3O2/c8-6-4(2-1-3-9)5(7(12)13)10-11-6/h1-3,9H2,(H,10,11)(H,12,13)
InChIKeyOCRXPVOIQWQXNB-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.65
Rot. Bonds4

About 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid

4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid (PubChem CID 83881695) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid
PubChem CID83881695
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid
SMILESNCCCc1c(C(=O)O)n[nH]c1Cl
InChIInChI=1S/C7H10ClN3O2/c8-6-4(2-1-3-9)5(7(12)13)10-11-6/h1-3,9H2,(H,10,11)(H,12,13)
InChIKeyOCRXPVOIQWQXNB-UHFFFAOYSA-N
XLogP0.65
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134136455
5-bromo-4-propyl-1H-pyrazole-3-carboxylic acid
CID 119053780
butanamide;4-chloro-5-methyl-1H-pyrazole-3-carboxylic acid
CID 158226280
5-tert-butyl-4-chloro-1H-pyrazole-3-carboxylic acid
CID 56762721
4-(3-fluoropropoxycarbonylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 136562108
5-(2,2-difluoroethyl)-4-fluoro-1H-pyrazole-3-carboxylic acid
CID 68851082
4-methyl-5-propyl-1H-pyrazole-3-carboxylic acid
CID 70208917
5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
CID 117275266
3-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113372
4-fluoro-5-nonyl-1H-pyrazole-3-carboxylic acid
CID 68851725
5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid
CID 105461886
6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
CID 83868984

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid (CID 83881695) is 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid is NCCCc1c(C(=O)O)n[nH]c1Cl.
What is the InChIKey of 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid?
The InChIKey is OCRXPVOIQWQXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-6-4(2-1-3-9)5(7(12)13)10-11-6/h1-3,9H2,(H,10,11)(H,12,13).
What are the key properties of 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid?
4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid has a molecular weight of 203.63 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-5-chloro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 83881695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).