N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide

C24H24ClN7O — CID 138696406

IUPACN-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cnn(-c2ccc(NC(=O)C3CC3c3ccc(Cl)cc3)cc2-c2nn[nH]n2)c1
InChIInChI=1S/C24H24ClN7O/c1-24(2,3)15-12-26-32(13-15)21-9-8-17(10-20(21)22-28-30-31-29-22)27-23(33)19-11-18(19)14-4-6-16(25)7-5-14/h4-10,12-13,18-19H,11H2,1-3H3,(H,27,33)(H,28,29,30,31)
InChIKeyIZRUEGMMKGIFAO-UHFFFAOYSA-N
MW461.96 g/mol
LogP4.75
Rot. Bonds5

About N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide

N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 138696406) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID138696406
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC NameN-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cnn(-c2ccc(NC(=O)C3CC3c3ccc(Cl)cc3)cc2-c2nn[nH]n2)c1
InChIInChI=1S/C24H24ClN7O/c1-24(2,3)15-12-26-32(13-15)21-9-8-17(10-20(21)22-28-30-31-29-22)27-23(33)19-11-18(19)14-4-6-16(25)7-5-14/h4-10,12-13,18-19H,11H2,1-3H3,(H,27,33)(H,28,29,30,31)
InChIKeyIZRUEGMMKGIFAO-UHFFFAOYSA-N
XLogP4.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 138696406) is N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is CC(C)(C)c1cnn(-c2ccc(NC(=O)C3CC3c3ccc(Cl)cc3)cc2-c2nn[nH]n2)c1.
What is the InChIKey of N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IZRUEGMMKGIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-24(2,3)15-12-26-32(13-15)21-9-8-17(10-20(21)22-28-30-31-29-22)27-23(33)19-11-18(19)14-4-6-16(25)7-5-14/h4-10,12-13,18-19H,11H2,1-3H3,(H,27,33)(H,28,29,30,31).
What are the key properties of N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 461.96 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138696406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).