3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C16H29N3 — CID 81417106

IUPAC3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C16H29N3/c1-8-16(6)13(9-14(16)17-7)15-11(4)18-19(10(2)3)12(15)5/h10,13-14,17H,8-9H2,1-7H3
InChIKeyZHWNPFWNTLFYPT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.57
Rot. Bonds4

About 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 81417106) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID81417106
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1c(C)nn(C(C)C)c1C
InChIInChI=1S/C16H29N3/c1-8-16(6)13(9-14(16)17-7)15-11(4)18-19(10(2)3)12(15)5/h10,13-14,17H,8-9H2,1-7H3
InChIKeyZHWNPFWNTLFYPT-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 81417106) is 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1c1c(C)nn(C(C)C)c1C.
What is the InChIKey of 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is ZHWNPFWNTLFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-8-16(6)13(9-14(16)17-7)15-11(4)18-19(10(2)3)12(15)5/h10,13-14,17H,8-9H2,1-7H3.
What are the key properties of 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81417106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).