1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine

C16H19N5 — CID 81472831

IUPAC1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H19N5/c1-3-20-12-15(10-17-20)19-13(2)14-9-18-21(11-14)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3
InChIKeyNVYOUUHZKGPIQM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.26
Rot. Bonds5

About 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine (PubChem CID 81472831) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
PubChem CID81472831
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H19N5/c1-3-20-12-15(10-17-20)19-13(2)14-9-18-21(11-14)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3
InChIKeyNVYOUUHZKGPIQM-UHFFFAOYSA-N
XLogP3.26
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 103932265
3-bromo-N-[1-(1-phenylpyrazol-4-yl)ethyl]aniline
CID 81472821
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 43543366
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine (CID 81472831) is 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)c2cnn(-c3ccccc3)c2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine?
The InChIKey is NVYOUUHZKGPIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-20-12-15(10-17-20)19-13(2)14-9-18-21(11-14)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 81472831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).