1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C14H26N4 — CID 112672077

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCCc1nn(C)cc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C14H26N4/c1-5-14-12(8-17(4)16-14)9-18-7-6-13(10-18)15-11(2)3/h8,11,13,15H,5-7,9-10H2,1-4H3
InChIKeyLTESLBQVWXZJKR-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.55
Rot. Bonds5

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 112672077) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID112672077
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCCc1nn(C)cc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C14H26N4/c1-5-14-12(8-17(4)16-14)9-18-7-6-13(10-18)15-11(2)3/h8,11,13,15H,5-7,9-10H2,1-4H3
InChIKeyLTESLBQVWXZJKR-UHFFFAOYSA-N
XLogP1.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079
N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 115990267
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 75515961
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114170762
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 75515986
(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
CID 75515946
(4aS,7aS)-6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103918281
6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678610
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115885666

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 112672077) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is CCc1nn(C)cc1CN1CCC(NC(C)C)C1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is LTESLBQVWXZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-14-12(8-17(4)16-14)9-18-7-6-13(10-18)15-11(2)3/h8,11,13,15H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 112672077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).