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

C20H15Cl2N7O — CID 161136285

IUPAC1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H15Cl2N7O/c21-13-3-1-2-12(8-13)20(6-7-20)19(30)24-15-4-5-17(29-11-14(22)10-23-29)16(9-15)18-25-27-28-26-18/h1-5,8-11H,6-7H2,(H,24,30)(H,25,26,27,28)
InChIKeyUMVMSOCUOCWCSR-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.03
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 161136285) has the molecular formula C20H15Cl2N7O and a molecular weight of 440.29 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID161136285
Molecular FormulaC20H15Cl2N7O
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H15Cl2N7O/c21-13-3-1-2-12(8-13)20(6-7-20)19(30)24-15-4-5-17(29-11-14(22)10-23-29)16(9-15)18-25-27-28-26-18/h1-5,8-11H,6-7H2,(H,24,30)(H,25,26,27,28)
InChIKeyUMVMSOCUOCWCSR-UHFFFAOYSA-N
XLogP4.03
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 159582927
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(3-chlorophenyl)-N-[4-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161394976
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-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 159772746
N-[4-(4-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 135151013
N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 138696406
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 161136285) is 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cc(Cl)cn2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UMVMSOCUOCWCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N7O/c21-13-3-1-2-12(8-13)20(6-7-20)19(30)24-15-4-5-17(29-11-14(22)10-23-29)16(9-15)18-25-27-28-26-18/h1-5,8-11H,6-7H2,(H,24,30)(H,25,26,27,28).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 4.03, 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-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 161136285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).