N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine

C9H13N5 — CID 79786122

IUPACN-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine
SMILESCNCc1ccn(-c2cnn(C)c2)n1
InChIInChI=1S/C9H13N5/c1-10-5-8-3-4-14(12-8)9-6-11-13(2)7-9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyNIOYSDRZIBFVGU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.33
Rot. Bonds3

About N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine

N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine (PubChem CID 79786122) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine
PubChem CID79786122
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine
SMILESCNCc1ccn(-c2cnn(C)c2)n1
InChIInChI=1S/C9H13N5/c1-10-5-8-3-4-14(12-8)9-6-11-13(2)7-9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyNIOYSDRZIBFVGU-UHFFFAOYSA-N
XLogP0.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine (CID 79786122) is N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine is CNCc1ccn(-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine?
The InChIKey is NIOYSDRZIBFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-10-5-8-3-4-14(12-8)9-6-11-13(2)7-9/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine?
N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine has a molecular weight of 191.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 79786122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).