N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride

C23H27ClN4O2 — CID 2827797

IUPACN-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O2.ClH/c28-23(24-12-7-13-26-14-16-29-17-15-26)21-18-27(20-10-5-2-6-11-20)25-22(21)19-8-3-1-4-9-19;/h1-6,8-11,18H,7,12-17H2,(H,24,28);1H
InChIKeySIWOZNPLEAXXTN-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.41
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 2827797) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
PubChem CID2827797
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O2.ClH/c28-23(24-12-7-13-26-14-16-29-17-15-26)21-18-27(20-10-5-2-6-11-20)25-22(21)19-8-3-1-4-9-19;/h1-6,8-11,18H,7,12-17H2,(H,24,28);1H
InChIKeySIWOZNPLEAXXTN-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride (CID 2827797) is N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is SIWOZNPLEAXXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c28-23(24-12-7-13-26-14-16-29-17-15-26)21-18-27(20-10-5-2-6-11-20)25-22(21)19-8-3-1-4-9-19;/h1-6,8-11,18H,7,12-17H2,(H,24,28);1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 2827797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).