N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C17H25Cl2N5O2 — CID 119890544

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1cc(CCCNC(=O)C2CC(O)CN2)nn1-c1ccccc1
InChIInChI=1S/C17H23N5O2.2ClH/c18-16-9-12(21-22(16)13-6-2-1-3-7-13)5-4-8-19-17(24)15-10-14(23)11-20-15;;/h1-3,6-7,9,14-15,20,23H,4-5,8,10-11,18H2,(H,19,24);2*1H
InChIKeyKTHSPNIMKBSQFD-UHFFFAOYSA-N
MW402.33 g/mol
LogP1.07
Rot. Bonds6

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119890544) has the molecular formula C17H25Cl2N5O2 and a molecular weight of 402.33 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119890544
Molecular FormulaC17H25Cl2N5O2
Molecular Weight402.33 g/mol
Exact Mass401.14
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1cc(CCCNC(=O)C2CC(O)CN2)nn1-c1ccccc1
InChIInChI=1S/C17H23N5O2.2ClH/c18-16-9-12(21-22(16)13-6-2-1-3-7-13)5-4-8-19-17(24)15-10-14(23)11-20-15;;/h1-3,6-7,9,14-15,20,23H,4-5,8,10-11,18H2,(H,19,24);2*1H
InChIKeyKTHSPNIMKBSQFD-UHFFFAOYSA-N
XLogP1.07
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119890544) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.Nc1cc(CCCNC(=O)C2CC(O)CN2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is KTHSPNIMKBSQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.2ClH/c18-16-9-12(21-22(16)13-6-2-1-3-7-13)5-4-8-19-17(24)15-10-14(23)11-20-15;;/h1-3,6-7,9,14-15,20,23H,4-5,8,10-11,18H2,(H,19,24);2*1H.
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 402.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).