1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide

C22H24ClN3O2 — CID 30786383

IUPAC1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCO[C@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-16-21(15-25-26(16)20-11-9-19(23)10-12-20)22(27)24-13-6-14-28-17(2)18-7-4-3-5-8-18/h3-5,7-12,15,17H,6,13-14H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyNFVBTAPEIWETNM-QGZVFWFLSA-N
MW397.91 g/mol
LogP4.73
Rot. Bonds8

About 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide (PubChem CID 30786383) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide
PubChem CID30786383
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCO[C@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-16-21(15-25-26(16)20-11-9-19(23)10-12-20)22(27)24-13-6-14-28-17(2)18-7-4-3-5-8-18/h3-5,7-12,15,17H,6,13-14H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyNFVBTAPEIWETNM-QGZVFWFLSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide (CID 30786383) is 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCCCO[C@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide?
The InChIKey is NFVBTAPEIWETNM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16-21(15-25-26(16)20-11-9-19(23)10-12-20)22(27)24-13-6-14-28-17(2)18-7-4-3-5-8-18/h3-5,7-12,15,17H,6,13-14H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 30786383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).