N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine

C12H21N3 — CID 79347050

IUPACN-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
SMILESCc1nn(C)c(C)c1C=CCNC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-8-6-7-12-10(3)14-15(5)11(12)4/h6-7,9,13H,8H2,1-5H3
InChIKeyOARFOGKZHKNEMJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds4

About N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine

N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 79347050) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID79347050
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
SMILESCc1nn(C)c(C)c1C=CCNC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-8-6-7-12-10(3)14-15(5)11(12)4/h6-7,9,13H,8H2,1-5H3
InChIKeyOARFOGKZHKNEMJ-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine (CID 79347050) is N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine is Cc1nn(C)c(C)c1C=CCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is OARFOGKZHKNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)13-8-6-7-12-10(3)14-15(5)11(12)4/h6-7,9,13H,8H2,1-5H3.
What are the key properties of N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).