3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine

C14H15N5 — CID 43777194

IUPAC3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cnc2ccccc2n1
InChIInChI=1S/C14H15N5/c1-9-14(10(2)19-18-9)16-8-11-7-15-12-5-3-4-6-13(12)17-11/h3-7,16H,8H2,1-2H3,(H,18,19)
InChIKeyFQKZYPWJBBUYNK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.58
Rot. Bonds3

About 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine (PubChem CID 43777194) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
PubChem CID43777194
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cnc2ccccc2n1
InChIInChI=1S/C14H15N5/c1-9-14(10(2)19-18-9)16-8-11-7-15-12-5-3-4-6-13(12)17-11/h3-7,16H,8H2,1-2H3,(H,18,19)
InChIKeyFQKZYPWJBBUYNK-UHFFFAOYSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 79178658
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
4-bromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43762731
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
CID 43757884
2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
CID 62809285
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine (CID 43777194) is 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1cnc2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine?
The InChIKey is FQKZYPWJBBUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-14(10(2)19-18-9)16-8-11-7-15-12-5-3-4-6-13(12)17-11/h3-7,16H,8H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43777194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).