N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

C16H23N3 — CID 43547100

IUPACN-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H23N3/c1-5-13-7-9-14(10-8-13)15(6-2)17-16-11(3)18-19-12(16)4/h7-10,15,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyHJTQRQGSCAPQLB-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547100) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547100
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCc1ccc(C(CC)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H23N3/c1-5-13-7-9-14(10-8-13)15(6-2)17-16-11(3)18-19-12(16)4/h7-10,15,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyHJTQRQGSCAPQLB-UHFFFAOYSA-N
XLogP4.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547306
N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547308
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 43310036
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol
CID 43547277
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
CID 83074821
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678466

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547100) is N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCc1ccc(C(CC)Nc2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is HJTQRQGSCAPQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-13-7-9-14(10-8-13)15(6-2)17-16-11(3)18-19-12(16)4/h7-10,15,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).