1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

C18H26Cl2N4O — CID 120651600

IUPAC1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-5-20-13(4)10-21-18(24)16-11-22-23(17(16)12(2)3)15-8-6-14(19)7-9-15;/h6-9,11-13,20H,5,10H2,1-4H3,(H,21,24);1H/t13-;/m1./s1
InChIKeyYAONEOKZYHXJLD-BTQNPOSSSA-N
MW385.34 g/mol
LogP3.80
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120651600) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID120651600
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-5-20-13(4)10-21-18(24)16-11-22-23(17(16)12(2)3)15-8-6-14(19)7-9-15;/h6-9,11-13,20H,5,10H2,1-4H3,(H,21,24);1H/t13-;/m1./s1
InChIKeyYAONEOKZYHXJLD-BTQNPOSSSA-N
XLogP3.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride 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 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (CID 120651600) is 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is YAONEOKZYHXJLD-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H25ClN4O.ClH/c1-5-20-13(4)10-21-18(24)16-11-22-23(17(16)12(2)3)15-8-6-14(19)7-9-15;/h6-9,11-13,20H,5,10H2,1-4H3,(H,21,24);1H/t13-;/m1./s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120651600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).