N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine

C18H27N3 — CID 63975556

IUPACN-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(NCC)C(C)(C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-5-14-21-16(12-13-20-21)17(19-6-2)18(3,4)15-10-8-7-9-11-15/h7-13,17,19H,5-6,14H2,1-4H3
InChIKeyCOSHNCFLCFWOCX-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine

N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 63975556) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID63975556
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(NCC)C(C)(C)c1ccccc1
InChIInChI=1S/C18H27N3/c1-5-14-21-16(12-13-20-21)17(19-6-2)18(3,4)15-10-8-7-9-11-15/h7-13,17,19H,5-6,14H2,1-4H3
InChIKeyCOSHNCFLCFWOCX-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105216314
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
CID 79061756
2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine (CID 63975556) is N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1C(NCC)C(C)(C)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is COSHNCFLCFWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-14-21-16(12-13-20-21)17(19-6-2)18(3,4)15-10-8-7-9-11-15/h7-13,17,19H,5-6,14H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 63975556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).