N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C19H24N4O2 — CID 127266335

IUPACN-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1cccc2c1CCCCN2C(=O)Nc1cn(C)nc1C1CC1
InChIInChI=1S/C19H24N4O2/c1-22-12-15(18(21-22)13-9-10-13)20-19(24)23-11-4-3-6-14-16(23)7-5-8-17(14)25-2/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,24)
InChIKeyDHYOONJZMWXWQX-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.68
Rot. Bonds3

About N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 127266335) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID127266335
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1cccc2c1CCCCN2C(=O)Nc1cn(C)nc1C1CC1
InChIInChI=1S/C19H24N4O2/c1-22-12-15(18(21-22)13-9-10-13)20-19(24)23-11-4-3-6-14-16(23)7-5-8-17(14)25-2/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,24)
InChIKeyDHYOONJZMWXWQX-UHFFFAOYSA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 127266335) is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is COc1cccc2c1CCCCN2C(=O)Nc1cn(C)nc1C1CC1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is DHYOONJZMWXWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-12-15(18(21-22)13-9-10-13)20-19(24)23-11-4-3-6-14-16(23)7-5-8-17(14)25-2/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 127266335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).