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

C11H14ClN3 — CID 13303434

IUPACN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride
SMILESCN(C)c1cn[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9;/h3-8H,1-2H3,(H,12,13);1H
InChIKeyVDJOUXYWOKQNJN-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.56
Rot. Bonds2

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

N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride (PubChem CID 13303434) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride
PubChem CID13303434
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride
SMILESCN(C)c1cn[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9;/h3-8H,1-2H3,(H,12,13);1H
InChIKeyVDJOUXYWOKQNJN-UHFFFAOYSA-N
XLogP2.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.56
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;hydrochloride?
The IUPAC name of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride (CID 13303434) is N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride is CN(C)c1cn[nH]c1-c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is VDJOUXYWOKQNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c1-14(2)10-8-12-13-11(10)9-6-4-3-5-7-9;/h3-8H,1-2H3,(H,12,13);1H.
What are the key properties of N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride?
N,N-dimethyl-5-phenyl-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 2.56, 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;hydrochloride is sourced from PubChem (CID 13303434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).