1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine

C8H11N5 — CID 165458025

IUPAC1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2c(N)cnn2C)cn1
InChIInChI=1S/C8H11N5/c1-12-5-6(3-10-12)8-7(9)4-11-13(8)2/h3-5H,9H2,1-2H3
InChIKeyIGFCLHWNVBPDIT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.40
Rot. Bonds1

About 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine

1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 165458025) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine
PubChem CID165458025
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2c(N)cnn2C)cn1
InChIInChI=1S/C8H11N5/c1-12-5-6(3-10-12)8-7(9)4-11-13(8)2/h3-5H,9H2,1-2H3
InChIKeyIGFCLHWNVBPDIT-UHFFFAOYSA-N
XLogP0.40
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-1-methylpyrazol-4-amine
CID 28803588
5-(4-fluorophenyl)-1-methylpyrazol-4-amine
CID 28803587
5-(4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 28803590
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 83727845
2,3,4-trifluoro-5-(1-methylpyrazol-4-yl)aniline
CID 165495372
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
2-[4-(4-amino-1-methylpyrazol-5-yl)phenyl]acetic acid
CID 165477117
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
3-chloro-2-methyl-4-(1-methylpyrazol-4-yl)aniline
CID 171916562
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine (CID 165458025) is 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine is Cn1cc(-c2c(N)cnn2C)cn1.
What is the InChIKey of 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is IGFCLHWNVBPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-12-5-6(3-10-12)8-7(9)4-11-13(8)2/h3-5H,9H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine?
1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 177.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 165458025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).