N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine

C8H11N5 — CID 112545541

IUPACN-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(C)[nH]n2)[nH]n1
InChIInChI=1S/C8H11N5/c1-5-3-6(11-10-5)7-4-8(9-2)13-12-7/h3-4H,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyFWVFXPSMUJCNDG-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.15
Rot. Bonds2

About N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine

N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 112545541) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID112545541
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(C)[nH]n2)[nH]n1
InChIInChI=1S/C8H11N5/c1-5-3-6(11-10-5)7-4-8(9-2)13-12-7/h3-4H,1-2H3,(H,10,11)(H2,9,12,13)
InChIKeyFWVFXPSMUJCNDG-UHFFFAOYSA-N
XLogP1.15
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine (CID 112545541) is N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine is CNc1cc(-c2cc(C)[nH]n2)[nH]n1.
What is the InChIKey of N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is FWVFXPSMUJCNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-3-6(11-10-5)7-4-8(9-2)13-12-7/h3-4H,1-2H3,(H,10,11)(H2,9,12,13).
What are the key properties of N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine?
N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 177.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 112545541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).