N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

C12H13ClN4 — CID 121185125

IUPACN-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESClc1cccnc1NC1CCn2nccc2C1
InChIInChI=1S/C12H13ClN4/c13-11-2-1-5-14-12(11)16-9-4-7-17-10(8-9)3-6-15-17/h1-3,5-6,9H,4,7-8H2,(H,14,16)
InChIKeyUHPLQFXFVWPMFB-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.36
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine

N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (PubChem CID 121185125) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
PubChem CID121185125
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC NameN-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
SMILESClc1cccnc1NC1CCn2nccc2C1
InChIInChI=1S/C12H13ClN4/c13-11-2-1-5-14-12(11)16-9-4-7-17-10(8-9)3-6-15-17/h1-3,5-6,9H,4,7-8H2,(H,14,16)
InChIKeyUHPLQFXFVWPMFB-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine (CID 121185125) is N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is Clc1cccnc1NC1CCn2nccc2C1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is UHPLQFXFVWPMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-2-1-5-14-12(11)16-9-4-7-17-10(8-9)3-6-15-17/h1-3,5-6,9H,4,7-8H2,(H,14,16).
What are the key properties of N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine?
N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 248.72 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 121185125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).