N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide

C19H22N6O — CID 125446825

IUPACN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H22N6O/c1-11(16-12(2)24-25-13(16)3)23-19(26)15-7-5-14(6-8-15)17-18(20-4)22-10-9-21-17/h5-11H,1-4H3,(H,20,22)(H,23,26)(H,24,25)/t11-/m1/s1
InChIKeyXUUAIQGRRBITAA-LLVKDONJSA-N
MW350.43 g/mol
LogP3.02
Rot. Bonds5

About N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide

N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide (PubChem CID 125446825) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
PubChem CID125446825
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H22N6O/c1-11(16-12(2)24-25-13(16)3)23-19(26)15-7-5-14(6-8-15)17-18(20-4)22-10-9-21-17/h5-11H,1-4H3,(H,20,22)(H,23,26)(H,24,25)/t11-/m1/s1
InChIKeyXUUAIQGRRBITAA-LLVKDONJSA-N
XLogP3.02
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide (CID 125446825) is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide is CNc1nccnc1-c1ccc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
The InChIKey is XUUAIQGRRBITAA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11(16-12(2)24-25-13(16)3)23-19(26)15-7-5-14(6-8-15)17-18(20-4)22-10-9-21-17/h5-11H,1-4H3,(H,20,22)(H,23,26)(H,24,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide?
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide has a molecular weight of 350.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 125446825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).