1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine

C13H21N3 — CID 66440958

IUPAC1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(C(C)C2CC2)c1C1CC1
InChIInChI=1S/C13H21N3/c1-9(10-3-4-10)16-13(11-5-6-11)12(7-14-2)8-15-16/h8-11,14H,3-7H2,1-2H3
InChIKeyTXVQZCOHEQGVGN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds5

About 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine

1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 66440958) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID66440958
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(C(C)C2CC2)c1C1CC1
InChIInChI=1S/C13H21N3/c1-9(10-3-4-10)16-13(11-5-6-11)12(7-14-2)8-15-16/h8-11,14H,3-7H2,1-2H3
InChIKeyTXVQZCOHEQGVGN-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine (CID 66440958) is 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(C(C)C2CC2)c1C1CC1.
What is the InChIKey of 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is TXVQZCOHEQGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(10-3-4-10)16-13(11-5-6-11)12(7-14-2)8-15-16/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66440958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).