3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide

C19H23N5O — CID 167909039

IUPAC3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)C1CC1
InChIInChI=1S/C19H23N5O/c1-13(2)8-9-23(16-6-7-16)19(25)14-4-3-5-17(10-14)24-18(21)15(11-20)12-22-24/h3-5,10,12-13,16H,6-9,21H2,1-2H3
InChIKeyZNRQVKGSRBQDQO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.98
Rot. Bonds6

About 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide

3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide (PubChem CID 167909039) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
PubChem CID167909039
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)C1CC1
InChIInChI=1S/C19H23N5O/c1-13(2)8-9-23(16-6-7-16)19(25)14-4-3-5-17(10-14)24-18(21)15(11-20)12-22-24/h3-5,10,12-13,16H,6-9,21H2,1-2H3
InChIKeyZNRQVKGSRBQDQO-UHFFFAOYSA-N
XLogP2.98
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide (CID 167909039) is 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)C1CC1.
What is the InChIKey of 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The InChIKey is ZNRQVKGSRBQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)8-9-23(16-6-7-16)19(25)14-4-3-5-17(10-14)24-18(21)15(11-20)12-22-24/h3-5,10,12-13,16H,6-9,21H2,1-2H3.
What are the key properties of 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-cyanopyrazol-1-yl)-N-cyclopropyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 167909039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).