1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide

C27H33Cl2N5O2 — CID 10346897

IUPAC1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(C)C)(C(N)=O)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C27H33Cl2N5O2/c1-17(2)31-27(26(30)36)12-14-33(15-13-27)16-23(35)24-18(3)25(19-8-10-20(28)11-9-19)34(32-24)22-7-5-4-6-21(22)29/h4-11,17,23,31,35H,12-16H2,1-3H3,(H2,30,36)
InChIKeyQIDQDWXTIVTKSA-UHFFFAOYSA-N
MW530.50 g/mol
LogP4.51
Rot. Bonds8

About 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide

1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 10346897) has the molecular formula C27H33Cl2N5O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID10346897
Molecular FormulaC27H33Cl2N5O2
Molecular Weight530.50 g/mol
Exact Mass529.20
IUPAC Name1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(C)C)(C(N)=O)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C27H33Cl2N5O2/c1-17(2)31-27(26(30)36)12-14-33(15-13-27)16-23(35)24-18(3)25(19-8-10-20(28)11-9-19)34(32-24)22-7-5-4-6-21(22)29/h4-11,17,23,31,35H,12-16H2,1-3H3,(H2,30,36)
InChIKeyQIDQDWXTIVTKSA-UHFFFAOYSA-N
XLogP4.51
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanol
CID 123417609
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide
CID 42637620
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 11375067
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-methylpyrazole-3-carboximidamide
CID 118470309
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-1-deuterio-2-(4-methylphenyl)sulfonylethanimine
CID 87954397
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide (CID 10346897) is 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide is Cc1c(C(O)CN2CCC(NC(C)C)(C(N)=O)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is QIDQDWXTIVTKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N5O2/c1-17(2)31-27(26(30)36)12-14-33(15-13-27)16-23(35)24-18(3)25(19-8-10-20(28)11-9-19)34(32-24)22-7-5-4-6-21(22)29/h4-11,17,23,31,35H,12-16H2,1-3H3,(H2,30,36).
What are the key properties of 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 10346897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).