1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine

C16H23N3 — CID 43543260

IUPAC1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2cnn(CC)c2)cc1
InChIInChI=1S/C16H23N3/c1-4-13-7-9-14(10-8-13)16(5-2)18-15-11-17-19(6-3)12-15/h7-12,16,18H,4-6H2,1-3H3
InChIKeyPVKWBLZAYZGNTF-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds6

About 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine

1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine (PubChem CID 43543260) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
PubChem CID43543260
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2cnn(CC)c2)cc1
InChIInChI=1S/C16H23N3/c1-4-13-7-9-14(10-8-13)16(5-2)18-15-11-17-19(6-3)12-15/h7-12,16,18H,4-6H2,1-3H3
InChIKeyPVKWBLZAYZGNTF-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine (CID 43543260) is 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine is CCc1ccc(C(CC)Nc2cnn(CC)c2)cc1.
What is the InChIKey of 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine?
The InChIKey is PVKWBLZAYZGNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-13-7-9-14(10-8-13)16(5-2)18-15-11-17-19(6-3)12-15/h7-12,16,18H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine?
1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine is sourced from PubChem (CID 43543260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).