N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine

C11H13N3 — CID 13303433

IUPACN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine
SMILESCN(C)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyZGGTYLCSGRLCOR-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.14
Rot. Bonds2

About N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine

N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine (PubChem CID 13303433) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine
PubChem CID13303433
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine
SMILESCN(C)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyZGGTYLCSGRLCOR-UHFFFAOYSA-N
XLogP2.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine?
The IUPAC name of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine (CID 13303433) is N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine.
What is the SMILES notation for N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine?
The canonical SMILES for N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine is CN(C)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine?
The InChIKey is ZGGTYLCSGRLCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13).
What are the key properties of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine?
N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine is sourced from PubChem (CID 13303433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).