1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C15H27ClN4 — CID 79056546

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCn1nc(C)c(Cl)c1CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-20-12(14(16)11(2)18-20)10-13(17)15(3,4)19-8-6-7-9-19/h13H,5-10,17H2,1-4H3
InChIKeyIMSRGQBFBIXWHY-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056546) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056546
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCn1nc(C)c(Cl)c1CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-20-12(14(16)11(2)18-20)10-13(17)15(3,4)19-8-6-7-9-19/h13H,5-10,17H2,1-4H3
InChIKeyIMSRGQBFBIXWHY-UHFFFAOYSA-N
XLogP2.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051152
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068946
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 79659585
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
4-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 81015787
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
4-chloro-5-(2-chloro-5,5-dimethylhexyl)-1-ethyl-3-methylpyrazole
CID 114211848
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
CID 115813336
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79056546) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCn1nc(C)c(Cl)c1CC(N)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is IMSRGQBFBIXWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-20-12(14(16)11(2)18-20)10-13(17)15(3,4)19-8-6-7-9-19/h13H,5-10,17H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 298.86 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).