1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide

C23H25ClN4O2 — CID 90868671

IUPAC1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O2/c1-2-3-22-21(16-25-28(22)20-8-4-17(24)5-9-20)23(29)26-18-6-10-19(11-7-18)27-12-14-30-15-13-27/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyMFGOQERHNYPJNS-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.57
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide (PubChem CID 90868671) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
PubChem CID90868671
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O2/c1-2-3-22-21(16-25-28(22)20-8-4-17(24)5-9-20)23(29)26-18-6-10-19(11-7-18)27-12-14-30-15-13-27/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyMFGOQERHNYPJNS-UHFFFAOYSA-N
XLogP4.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
CID 91236728
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
CID 90716009
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
CID 90739672
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-(1H-indazol-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 59735133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide (CID 90868671) is 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide?
The InChIKey is MFGOQERHNYPJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-2-3-22-21(16-25-28(22)20-8-4-17(24)5-9-20)23(29)26-18-6-10-19(11-7-18)27-12-14-30-15-13-27/h4-11,16H,2-3,12-15H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 90868671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).