N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide

C26H31N5O2 — CID 56509941

IUPACN-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)c2C(C)C)cc1
InChIInChI=1S/C26H31N5O2/c1-18(2)24-23(17-27-31(24)22-10-8-19(3)9-11-22)25(32)29-12-14-30(15-13-29)26(33)28-21-7-5-6-20(4)16-21/h5-11,16-18H,12-15H2,1-4H3,(H,28,33)
InChIKeyALGOQYJQVFEJNM-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.60
Rot. Bonds4

About N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide

N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide (PubChem CID 56509941) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
PubChem CID56509941
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)c2C(C)C)cc1
InChIInChI=1S/C26H31N5O2/c1-18(2)24-23(17-27-31(24)22-10-8-19(3)9-11-22)25(32)29-12-14-30(15-13-29)26(33)28-21-7-5-6-20(4)16-21/h5-11,16-18H,12-15H2,1-4H3,(H,28,33)
InChIKeyALGOQYJQVFEJNM-UHFFFAOYSA-N
XLogP4.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
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2-(4-fluorophenyl)-1-[4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 55657260
4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509942
4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510461
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 120746297
N-[3-(tert-butylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide (CID 56509941) is N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide is Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)c2C(C)C)cc1.
What is the InChIKey of N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is ALGOQYJQVFEJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18(2)24-23(17-27-31(24)22-10-8-19(3)9-11-22)25(32)29-12-14-30(15-13-29)26(33)28-21-7-5-6-20(4)16-21/h5-11,16-18H,12-15H2,1-4H3,(H,28,33).
What are the key properties of N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide?
N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 56509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).