7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H16Cl2N6O2 — CID 5047808

IUPAC7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nnnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H16Cl2N6O2/c1-10-16(18(28)23-14-5-3-4-6-15(14)29-2)17(27-19(22-10)24-25-26-27)11-7-8-12(20)13(21)9-11/h3-9,16-17H,1H2,2H3,(H,23,28)(H,22,24,26)
InChIKeyOZBREOIETRLREW-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.77
Rot. Bonds4

About 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 5047808) has the molecular formula C19H16Cl2N6O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID5047808
Molecular FormulaC19H16Cl2N6O2
Molecular Weight431.28 g/mol
Exact Mass430.07
IUPAC Name7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC=C1Nc2nnnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H16Cl2N6O2/c1-10-16(18(28)23-14-5-3-4-6-15(14)29-2)17(27-19(22-10)24-25-26-27)11-7-8-12(20)13(21)9-11/h3-9,16-17H,1H2,2H3,(H,23,28)(H,22,24,26)
InChIKeyOZBREOIETRLREW-UHFFFAOYSA-N
XLogP3.77
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3529804
7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4608855
7-(4-bromophenyl)-5-methylidene-N-phenyl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3274271
(7R)-7-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136842859
(7S)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181419
7-(4-chlorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5107856
ethyl 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3274269
(7R)-N-(2-methoxyphenyl)-5-methyl-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135680008
7-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826351
(7R)-7-(4-ethoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181499
(7S)-7-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1178876
7-(3-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792948

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 5047808) is 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is C=C1Nc2nnnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)Nc1ccccc1OC.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OZBREOIETRLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O2/c1-10-16(18(28)23-14-5-3-4-6-15(14)29-2)17(27-19(22-10)24-25-26-27)11-7-8-12(20)13(21)9-11/h3-9,16-17H,1H2,2H3,(H,23,28)(H,22,24,26).
What are the key properties of 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5047808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).