(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H31N3O4 — CID 146093692

IUPAC(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCC1CCC(O)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H31N3O4/c1-12-10-16-17(13(2)26-12)21-22(8-9-25-3)18(16)19(24)20-11-14-4-6-15(23)7-5-14/h12-15,23H,4-11H2,1-3H3,(H,20,24)/t12-,13+,14?,15?/m0/s1
InChIKeyOSKWWOHRWFSEQE-ZUJMUWTESA-N
MW365.47 g/mol
LogP1.83
Rot. Bonds6

About (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093692) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093692
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCC1CCC(O)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H31N3O4/c1-12-10-16-17(13(2)26-12)21-22(8-9-25-3)18(16)19(24)20-11-14-4-6-15(23)7-5-14/h12-15,23H,4-11H2,1-3H3,(H,20,24)/t12-,13+,14?,15?/m0/s1
InChIKeyOSKWWOHRWFSEQE-ZUJMUWTESA-N
XLogP1.83
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093692) is (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCCn1nc2c(c1C(=O)NCC1CCC(O)CC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is OSKWWOHRWFSEQE-ZUJMUWTESA-N. The full InChI is InChI=1S/C19H31N3O4/c1-12-10-16-17(13(2)26-12)21-22(8-9-25-3)18(16)19(24)20-11-14-4-6-15(23)7-5-14/h12-15,23H,4-11H2,1-3H3,(H,20,24)/t12-,13+,14?,15?/m0/s1.
What are the key properties of (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).