4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C13H14N4 — CID 90697312

IUPAC4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C13H14N4/c1-2-7-17-9-10(8-16-17)11-3-5-14-13-12(11)4-6-15-13/h3-6,8-9H,2,7H2,1H3,(H,14,15)
InChIKeyLEHUJFJTPCIGMR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.84
Rot. Bonds3

About 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90697312) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90697312
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C13H14N4/c1-2-7-17-9-10(8-16-17)11-3-5-14-13-12(11)4-6-15-13/h3-6,8-9H,2,7H2,1H3,(H,14,15)
InChIKeyLEHUJFJTPCIGMR-UHFFFAOYSA-N
XLogP2.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57477711
4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 44625970
3-[2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]ethyl]benzonitrile
CID 118481142
[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
CID 57480641
4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57480633
4-[1-(furan-3-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetic acid
CID 68907279
4-(1-pentan-3-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetic acid
CID 68904990
[4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]methyl]piperidin-1-yl]methanesulfinate
CID 174581393
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
ethyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]benzoate
CID 57477744
4-(1-ethyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 138500278
(3R)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]hexanenitrile;(3S)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]hexanenitrile;bis(2,2,2-trifluoroacetaldehyde)
CID 162078631

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90697312) is 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCCn1cc(-c2ccnc3[nH]ccc23)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LEHUJFJTPCIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-7-17-9-10(8-16-17)11-3-5-14-13-12(11)4-6-15-13/h3-6,8-9H,2,7H2,1H3,(H,14,15).
What are the key properties of 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90697312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).