3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C12H19N3 — CID 134222561

IUPAC3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(C)N1CCc2c(C(C)C)n[nH]c2C1
InChIInChI=1S/C12H19N3/c1-8(2)12-10-5-6-15(9(3)4)7-11(10)13-14-12/h8H,3,5-7H2,1-2,4H3,(H,13,14)
InChIKeyBZZUBYDLKDYFJB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds2

About 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 134222561) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID134222561
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(C)N1CCc2c(C(C)C)n[nH]c2C1
InChIInChI=1S/C12H19N3/c1-8(2)12-10-5-6-15(9(3)4)7-11(10)13-14-12/h8H,3,5-7H2,1-2,4H3,(H,13,14)
InChIKeyBZZUBYDLKDYFJB-UHFFFAOYSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 134222561) is 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is C=C(C)N1CCc2c(C(C)C)n[nH]c2C1.
What is the InChIKey of 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is BZZUBYDLKDYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)12-10-5-6-15(9(3)4)7-11(10)13-14-12/h8H,3,5-7H2,1-2,4H3,(H,13,14).
What are the key properties of 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 205.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 134222561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).