(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C21H27N3O3 — CID 146093458

IUPAC(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1
InChIInChI=1S/C21H27N3O3/c1-13-11-15-18(14(2)27-13)23-24(3)19(15)20(25)22-12-21(9-10-21)16-7-5-6-8-17(16)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)/t13-,14+/m1/s1
InChIKeyKUWPANHUASUKFH-KGLIPLIRSA-N
MW369.47 g/mol
LogP2.91
Rot. Bonds5

About (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093458) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093458
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1
InChIInChI=1S/C21H27N3O3/c1-13-11-15-18(14(2)27-13)23-24(3)19(15)20(25)22-12-21(9-10-21)16-7-5-6-8-17(16)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)/t13-,14+/m1/s1
InChIKeyKUWPANHUASUKFH-KGLIPLIRSA-N
XLogP2.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093458) is (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COc1ccccc1C1(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1.
What is the InChIKey of (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is KUWPANHUASUKFH-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-11-15-18(14(2)27-13)23-24(3)19(15)20(25)22-12-21(9-10-21)16-7-5-6-8-17(16)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)/t13-,14+/m1/s1.
What are the key properties of (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).