N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

C20H31N3 — CID 24968832

IUPACN-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCN(CCC)CCc1cccc(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H31N3/c1-6-12-23(13-7-2)14-11-18-9-8-10-19(15-18)20-16(3)21-22(5)17(20)4/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyUHMTYTVODVLJSQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.37
Rot. Bonds8

About N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 24968832) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID24968832
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC NameN-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCN(CCC)CCc1cccc(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H31N3/c1-6-12-23(13-7-2)14-11-18-9-8-10-19(15-18)20-16(3)21-22(5)17(20)4/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyUHMTYTVODVLJSQ-UHFFFAOYSA-N
XLogP4.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (CID 24968832) is N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is CCCN(CCC)CCc1cccc(-c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is UHMTYTVODVLJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-6-12-23(13-7-2)14-11-18-9-8-10-19(15-18)20-16(3)21-22(5)17(20)4/h8-10,15H,6-7,11-14H2,1-5H3.
What are the key properties of N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 313.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 24968832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).