3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine

C15H21N3 — CID 82702115

IUPAC3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
SMILESCCc1nn(C(C)c2ccccc2)c(CC)c1N
InChIInChI=1S/C15H21N3/c1-4-13-15(16)14(5-2)18(17-13)11(3)12-9-7-6-8-10-12/h6-11H,4-5,16H2,1-3H3
InChIKeyWPMMSQZXJMQOQU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.20
Rot. Bonds4

About 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine

3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine (PubChem CID 82702115) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
PubChem CID82702115
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
SMILESCCc1nn(C(C)c2ccccc2)c(CC)c1N
InChIInChI=1S/C15H21N3/c1-4-13-15(16)14(5-2)18(17-13)11(3)12-9-7-6-8-10-12/h6-11H,4-5,16H2,1-3H3
InChIKeyWPMMSQZXJMQOQU-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ripazepam
CID 33474
Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
E-55888
CID 24825775
MK-1925
CID 44178080
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine (CID 82702115) is 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine is CCc1nn(C(C)c2ccccc2)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine?
The InChIKey is WPMMSQZXJMQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13-15(16)14(5-2)18(17-13)11(3)12-9-7-6-8-10-12/h6-11H,4-5,16H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine?
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine is sourced from PubChem (CID 82702115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).