N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

C19H25N3O2 — CID 142616720

IUPACN-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C
InChIInChI=1S/C19H25N3O2/c1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-12H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyMRSCQXCBUFLVMM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.74
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 142616720) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
PubChem CID142616720
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C
InChIInChI=1S/C19H25N3O2/c1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-12H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyMRSCQXCBUFLVMM-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 142616720) is N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is CCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The InChIKey is MRSCQXCBUFLVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-12H,4-9H2,1-3H3,(H,20,21,23).
What are the key properties of N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 142616720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).