3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride

C10H12ClN5 — CID 141421934

IUPAC3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
SMILESCl.Nc1cnc2[nH]cc(N3CCC=N3)c2c1
InChIInChI=1S/C10H11N5.ClH/c11-7-4-8-9(15-3-1-2-14-15)6-13-10(8)12-5-7;/h2,4-6H,1,3,11H2,(H,12,13);1H
InChIKeyAEHMCNJABVPOSS-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.76
Rot. Bonds1

About 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride

3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride (PubChem CID 141421934) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
PubChem CID141421934
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
SMILESCl.Nc1cnc2[nH]cc(N3CCC=N3)c2c1
InChIInChI=1S/C10H11N5.ClH/c11-7-4-8-9(15-3-1-2-14-15)6-13-10(8)12-5-7;/h2,4-6H,1,3,11H2,(H,12,13);1H
InChIKeyAEHMCNJABVPOSS-UHFFFAOYSA-N
XLogP1.76
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The IUPAC name of 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride (CID 141421934) is 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride is Cl.Nc1cnc2[nH]cc(N3CCC=N3)c2c1.
What is the InChIKey of 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The InChIKey is AEHMCNJABVPOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.ClH/c11-7-4-8-9(15-3-1-2-14-15)6-13-10(8)12-5-7;/h2,4-6H,1,3,11H2,(H,12,13);1H.
What are the key properties of 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride is sourced from PubChem (CID 141421934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).