N,4-diethyl-5-phenyl-1H-pyrazol-3-amine

C13H17N3 — CID 63047789

IUPACN,4-diethyl-5-phenyl-1H-pyrazol-3-amine
SMILESCCNc1n[nH]c(-c2ccccc2)c1CC
InChIInChI=1S/C13H17N3/c1-3-11-12(10-8-6-5-7-9-10)15-16-13(11)14-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyDMZCMIUHWIYDLB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.07
Rot. Bonds4

About N,4-diethyl-5-phenyl-1H-pyrazol-3-amine

N,4-diethyl-5-phenyl-1H-pyrazol-3-amine (PubChem CID 63047789) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,4-diethyl-5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-phenyl-1H-pyrazol-3-amine
PubChem CID63047789
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,4-diethyl-5-phenyl-1H-pyrazol-3-amine
SMILESCCNc1n[nH]c(-c2ccccc2)c1CC
InChIInChI=1S/C13H17N3/c1-3-11-12(10-8-6-5-7-9-10)15-16-13(11)14-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyDMZCMIUHWIYDLB-UHFFFAOYSA-N
XLogP3.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-ethyl-5-phenyl-1H-pyrazol-3-amine
CID 55143257
4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
CID 12931069
5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine
CID 63048305
5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
CID 118529496
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
N-ethyl-5,5-dimethyl-1,4-dihydrobenzo[g]indazol-3-amine
CID 55145183
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
N-ethyl-4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63047438
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of N,4-diethyl-5-phenyl-1H-pyrazol-3-amine (CID 63047789) is N,4-diethyl-5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for N,4-diethyl-5-phenyl-1H-pyrazol-3-amine is CCNc1n[nH]c(-c2ccccc2)c1CC.
What is the InChIKey of N,4-diethyl-5-phenyl-1H-pyrazol-3-amine?
The InChIKey is DMZCMIUHWIYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-11-12(10-8-6-5-7-9-10)15-16-13(11)14-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of N,4-diethyl-5-phenyl-1H-pyrazol-3-amine?
N,4-diethyl-5-phenyl-1H-pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).