N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine

C8H12N6 — CID 83619063

IUPACN-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2cn[nH]c2CN)n1
InChIInChI=1S/C8H12N6/c1-14-3-2-8(13-14)11-7-5-10-12-6(7)4-9/h2-3,5H,4,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyZIVCTPSMEDSBEQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.35
Rot. Bonds3

About N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine

N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine (PubChem CID 83619063) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine
PubChem CID83619063
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2cn[nH]c2CN)n1
InChIInChI=1S/C8H12N6/c1-14-3-2-8(13-14)11-7-5-10-12-6(7)4-9/h2-3,5H,4,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyZIVCTPSMEDSBEQ-UHFFFAOYSA-N
XLogP0.35
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine (CID 83619063) is N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine is Cn1ccc(Nc2cn[nH]c2CN)n1.
What is the InChIKey of N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine?
The InChIKey is ZIVCTPSMEDSBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14-3-2-8(13-14)11-7-5-10-12-6(7)4-9/h2-3,5H,4,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine?
N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine has a molecular weight of 192.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-1H-pyrazol-4-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 83619063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).