1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

C24H25Cl2N7O2 — CID 56665060

IUPAC1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OC)cc1
InChIInChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34)
InChIKeyGRBOPCPDWXEHRB-UHFFFAOYSA-N
MW514.42 g/mol
LogP4.61
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 56665060) has the molecular formula C24H25Cl2N7O2 and a molecular weight of 514.42 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
PubChem CID56665060
Molecular FormulaC24H25Cl2N7O2
Molecular Weight514.42 g/mol
Exact Mass513.14
IUPAC Name1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OC)cc1
InChIInChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34)
InChIKeyGRBOPCPDWXEHRB-UHFFFAOYSA-N
XLogP4.61
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (CID 56665060) is 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is CCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is GRBOPCPDWXEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34).
What are the key properties of 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 514.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methoxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 56665060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).