N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

C18H33N3 — CID 104990204

IUPACN-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H33N3/c1-8-10-19-15(16-17(4,5)18(16,6)7)12-14-9-11-21(20-14)13(2)3/h9,11,13,15-16,19H,8,10,12H2,1-7H3
InChIKeyVPGNUAOBDHLCLK-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 104990204) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
PubChem CID104990204
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H33N3/c1-8-10-19-15(16-17(4,5)18(16,6)7)12-14-9-11-21(20-14)13(2)3/h9,11,13,15-16,19H,8,10,12H2,1-7H3
InChIKeyVPGNUAOBDHLCLK-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (CID 104990204) is N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)C)n1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is VPGNUAOBDHLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-8-10-19-15(16-17(4,5)18(16,6)7)12-14-9-11-21(20-14)13(2)3/h9,11,13,15-16,19H,8,10,12H2,1-7H3.
What are the key properties of N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 104990204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).