N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine

C9H15N3 — CID 59715220

IUPACN,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine
SMILESC=C(C)c1c(C)nn(C)c1NC
InChIInChI=1S/C9H15N3/c1-6(2)8-7(3)11-12(5)9(8)10-4/h10H,1H2,2-5H3
InChIKeySMKTZUUAGGUDMK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds2

About N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine

N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine (PubChem CID 59715220) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine
PubChem CID59715220
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine
SMILESC=C(C)c1c(C)nn(C)c1NC
InChIInChI=1S/C9H15N3/c1-6(2)8-7(3)11-12(5)9(8)10-4/h10H,1H2,2-5H3
InChIKeySMKTZUUAGGUDMK-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine (CID 59715220) is N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine is C=C(C)c1c(C)nn(C)c1NC.
What is the InChIKey of N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine?
The InChIKey is SMKTZUUAGGUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)8-7(3)11-12(5)9(8)10-4/h10H,1H2,2-5H3.
What are the key properties of N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine?
N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine is sourced from PubChem (CID 59715220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).