N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide

C19H22N6O — CID 133284708

IUPACN-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
SMILESCc1cc(C)n(-c2cncc(NCCC(=O)NCc3ccccc3)n2)n1
InChIInChI=1S/C19H22N6O/c1-14-10-15(2)25(24-14)18-13-20-12-17(23-18)21-9-8-19(26)22-11-16-6-4-3-5-7-16/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyZOEZSBLHWMJFQP-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.40
Rot. Bonds7

About N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide

N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide (PubChem CID 133284708) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
PubChem CID133284708
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
SMILESCc1cc(C)n(-c2cncc(NCCC(=O)NCc3ccccc3)n2)n1
InChIInChI=1S/C19H22N6O/c1-14-10-15(2)25(24-14)18-13-20-12-17(23-18)21-9-8-19(26)22-11-16-6-4-3-5-7-16/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyZOEZSBLHWMJFQP-UHFFFAOYSA-N
XLogP2.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 133273965
N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
CID 133284003
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
CID 133283995
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide?
The IUPAC name of N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide (CID 133284708) is N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide is Cc1cc(C)n(-c2cncc(NCCC(=O)NCc3ccccc3)n2)n1.
What is the InChIKey of N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide?
The InChIKey is ZOEZSBLHWMJFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-10-15(2)25(24-14)18-13-20-12-17(23-18)21-9-8-19(26)22-11-16-6-4-3-5-7-16/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide?
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide is sourced from PubChem (CID 133284708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).