9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C19H25N5O — CID 71867151

IUPAC9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C19H25N5O/c1-14-12-24(16-6-4-3-5-7-16)21-18(14)20-19(25)23-11-10-15-8-9-17(13-23)22(15)2/h3-7,12,15,17H,8-11,13H2,1-2H3,(H,20,21,25)
InChIKeyAONQWKGTGQJHDX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds2

About 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71867151) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71867151
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C19H25N5O/c1-14-12-24(16-6-4-3-5-7-16)21-18(14)20-19(25)23-11-10-15-8-9-17(13-23)22(15)2/h3-7,12,15,17H,8-11,13H2,1-2H3,(H,20,21,25)
InChIKeyAONQWKGTGQJHDX-UHFFFAOYSA-N
XLogP2.88
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71867151) is 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is Cc1cn(-c2ccccc2)nc1NC(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is AONQWKGTGQJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-12-24(16-6-4-3-5-7-16)21-18(14)20-19(25)23-11-10-15-8-9-17(13-23)22(15)2/h3-7,12,15,17H,8-11,13H2,1-2H3,(H,20,21,25).
What are the key properties of 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71867151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).