3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

C13H22ClN3 — CID 11658914

IUPAC3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESCCCN(CCC)C1CCn2ncc(Cl)c2C1
InChIInChI=1S/C13H22ClN3/c1-3-6-16(7-4-2)11-5-8-17-13(9-11)12(14)10-15-17/h10-11H,3-9H2,1-2H3
InChIKeySHBKBFYVWDZZMP-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.97
Rot. Bonds5

About 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (PubChem CID 11658914) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
PubChem CID11658914
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESCCCN(CCC)C1CCn2ncc(Cl)c2C1
InChIInChI=1S/C13H22ClN3/c1-3-6-16(7-4-2)11-5-8-17-13(9-11)12(14)10-15-17/h10-11H,3-9H2,1-2H3
InChIKeySHBKBFYVWDZZMP-UHFFFAOYSA-N
XLogP2.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (CID 11658914) is 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is CCCN(CCC)C1CCn2ncc(Cl)c2C1.
What is the InChIKey of 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is SHBKBFYVWDZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-3-6-16(7-4-2)11-5-8-17-13(9-11)12(14)10-15-17/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 255.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 11658914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).