1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine

C13H24N4 — CID 114557822

IUPAC1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCCn1nccc1C1C(N)CCN1C(C)(C)C
InChIInChI=1S/C13H24N4/c1-5-17-11(6-8-15-17)12-10(14)7-9-16(12)13(2,3)4/h6,8,10,12H,5,7,9,14H2,1-4H3
InChIKeyFQBHOVSMQXKASC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds2

About 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine

1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 114557822) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
PubChem CID114557822
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCCn1nccc1C1C(N)CCN1C(C)(C)C
InChIInChI=1S/C13H24N4/c1-5-17-11(6-8-15-17)12-10(14)7-9-16(12)13(2,3)4/h6,8,10,12H,5,7,9,14H2,1-4H3
InChIKeyFQBHOVSMQXKASC-UHFFFAOYSA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
CID 114557828
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
CID 114557788
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196634
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
CID 114557755
5-(3-bromocyclopentyl)-1-ethylpyrazole
CID 64507142
2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765711
5-(2-chlorocyclohexyl)-1-ethylpyrazole
CID 63974718
5-(2-bromocyclopentyl)-1-ethylpyrazole
CID 63975350

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine (CID 114557822) is 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine is CCn1nccc1C1C(N)CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is FQBHOVSMQXKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-17-11(6-8-15-17)12-10(14)7-9-16(12)13(2,3)4/h6,8,10,12H,5,7,9,14H2,1-4H3.
What are the key properties of 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine?
1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 114557822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).