N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine

C16H19N5 — CID 115887018

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
SMILESCCc1nn(C)cc1CNc1nnc(C)c2ccccc12
InChIInChI=1S/C16H19N5/c1-4-15-12(10-21(3)20-15)9-17-16-14-8-6-5-7-13(14)11(2)18-19-16/h5-8,10H,4,9H2,1-3H3,(H,17,19)
InChIKeyHPDDZICUKYHOEP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine (PubChem CID 115887018) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
PubChem CID115887018
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
SMILESCCc1nn(C)cc1CNc1nnc(C)c2ccccc12
InChIInChI=1S/C16H19N5/c1-4-15-12(10-21(3)20-15)9-17-16-14-8-6-5-7-13(14)11(2)18-19-16/h5-8,10H,4,9H2,1-3H3,(H,17,19)
InChIKeyHPDDZICUKYHOEP-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylphthalazin-1-amine
CID 103908129
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 115990483
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine (CID 115887018) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine is CCc1nn(C)cc1CNc1nnc(C)c2ccccc12.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine?
The InChIKey is HPDDZICUKYHOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-15-12(10-21(3)20-15)9-17-16-14-8-6-5-7-13(14)11(2)18-19-16/h5-8,10H,4,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 115887018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).