N-methyl-N-phenyl-1H-pyrazol-5-amine

C10H11N3 — CID 20746504

IUPACN-methyl-N-phenyl-1H-pyrazol-5-amine
SMILESCN(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H11N3/c1-13(10-7-8-11-12-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)
InChIKeyAGUGJWXXVTWMBG-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-N-phenyl-1H-pyrazol-5-amine

N-methyl-N-phenyl-1H-pyrazol-5-amine (PubChem CID 20746504) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-methyl-N-phenyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1H-pyrazol-5-amine
PubChem CID20746504
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-methyl-N-phenyl-1H-pyrazol-5-amine
SMILESCN(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C10H11N3/c1-13(10-7-8-11-12-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)
InChIKeyAGUGJWXXVTWMBG-UHFFFAOYSA-N
XLogP2.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1H-pyrazol-5-amine?
The IUPAC name of N-methyl-N-phenyl-1H-pyrazol-5-amine (CID 20746504) is N-methyl-N-phenyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-1H-pyrazol-5-amine?
The canonical SMILES for N-methyl-N-phenyl-1H-pyrazol-5-amine is CN(c1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-phenyl-1H-pyrazol-5-amine?
The InChIKey is AGUGJWXXVTWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13(10-7-8-11-12-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12).
What are the key properties of N-methyl-N-phenyl-1H-pyrazol-5-amine?
N-methyl-N-phenyl-1H-pyrazol-5-amine has a molecular weight of 173.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1H-pyrazol-5-amine is sourced from PubChem (CID 20746504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).