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

C25H20ClN7O — CID 159582927

IUPAC1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ncc2cc(-c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C25H20ClN7O/c1-33-22-8-5-15(11-16(22)14-27-33)20-7-6-19(13-21(20)23-29-31-32-30-23)28-24(34)25(9-10-25)17-3-2-4-18(26)12-17/h2-8,11-14H,9-10H2,1H3,(H,28,34)(H,29,30,31,32)
InChIKeyMJFZZESZHLQMFA-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.74
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 159582927) has the molecular formula C25H20ClN7O and a molecular weight of 469.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID159582927
Molecular FormulaC25H20ClN7O
Molecular Weight469.94 g/mol
Exact Mass469.14
IUPAC Name1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1ncc2cc(-c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C25H20ClN7O/c1-33-22-8-5-15(11-16(22)14-27-33)20-7-6-19(13-21(20)23-29-31-32-30-23)28-24(34)25(9-10-25)17-3-2-4-18(26)12-17/h2-8,11-14H,9-10H2,1H3,(H,28,34)(H,29,30,31,32)
InChIKeyMJFZZESZHLQMFA-UHFFFAOYSA-N
XLogP4.74
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-N-[4-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161136285
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581
1-(3-chlorophenyl)-N-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135151187
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(3-chlorophenyl)-N-[4-(4-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 162170217
1-(3-chlorophenyl)-N-[4-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161394976
4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170434075
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 166784768
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063
1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 159772746

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 159582927) is 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is Cn1ncc2cc(-c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3-c3nn[nH]n3)ccc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MJFZZESZHLQMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O/c1-33-22-8-5-15(11-16(22)14-27-33)20-7-6-19(13-21(20)23-29-31-32-30-23)28-24(34)25(9-10-25)17-3-2-4-18(26)12-17/h2-8,11-14H,9-10H2,1H3,(H,28,34)(H,29,30,31,32).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 469.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159582927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).