4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol

C28H33N7O — CID 137241352

IUPAC4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol
SMILESCCCC1CC=C(c2ccc(C3=CC(c4ccn(CC5CC5)n4)=C(c4nn[nH]n4)C(O)N3)cc2)CC1
InChIInChI=1S/C28H33N7O/c1-2-3-18-6-8-20(9-7-18)21-10-12-22(13-11-21)25-16-23(24-14-15-35(32-24)17-19-4-5-19)26(28(36)29-25)27-30-33-34-31-27/h8,10-16,18-19,28-29,36H,2-7,9,17H2,1H3,(H,30,31,33,34)
InChIKeyQUHDETXUGBCUDR-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.66
Rot. Bonds8

About 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol

4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol (PubChem CID 137241352) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol
PubChem CID137241352
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC Name4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol
SMILESCCCC1CC=C(c2ccc(C3=CC(c4ccn(CC5CC5)n4)=C(c4nn[nH]n4)C(O)N3)cc2)CC1
InChIInChI=1S/C28H33N7O/c1-2-3-18-6-8-20(9-7-18)21-10-12-22(13-11-21)25-16-23(24-14-15-35(32-24)17-19-4-5-19)26(28(36)29-25)27-30-33-34-31-27/h8,10-16,18-19,28-29,36H,2-7,9,17H2,1H3,(H,30,31,33,34)
InChIKeyQUHDETXUGBCUDR-UHFFFAOYSA-N
XLogP4.66
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol (CID 137241352) is 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol is CCCC1CC=C(c2ccc(C3=CC(c4ccn(CC5CC5)n4)=C(c4nn[nH]n4)C(O)N3)cc2)CC1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol?
The InChIKey is QUHDETXUGBCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-2-3-18-6-8-20(9-7-18)21-10-12-22(13-11-21)25-16-23(24-14-15-35(32-24)17-19-4-5-19)26(28(36)29-25)27-30-33-34-31-27/h8,10-16,18-19,28-29,36H,2-7,9,17H2,1H3,(H,30,31,33,34).
What are the key properties of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol?
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol has a molecular weight of 483.62 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 137241352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).