1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine

C14H16N4 — CID 141216188

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCn1nc(C2CC2)cc1N1CCc2cccnc21
InChIInChI=1S/C14H16N4/c1-17-13(9-12(16-17)10-4-5-10)18-8-6-11-3-2-7-15-14(11)18/h2-3,7,9-10H,4-6,8H2,1H3
InChIKeyNELDNFGFCCETEW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 141216188) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID141216188
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCn1nc(C2CC2)cc1N1CCc2cccnc21
InChIInChI=1S/C14H16N4/c1-17-13(9-12(16-17)10-4-5-10)18-8-6-11-3-2-7-15-14(11)18/h2-3,7,9-10H,4-6,8H2,1H3
InChIKeyNELDNFGFCCETEW-UHFFFAOYSA-N
XLogP2.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[3-cyclopropyl-5-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrazol-4-yl]prop-2-enoic acid
CID 66858827
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
1-piperidin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 117223926
8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 136569953
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686
1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine
CID 132561011
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
CID 159492858
1-ethenyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 156720618
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine (CID 141216188) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine is Cn1nc(C2CC2)cc1N1CCc2cccnc21.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is NELDNFGFCCETEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17-13(9-12(16-17)10-4-5-10)18-8-6-11-3-2-7-15-14(11)18/h2-3,7,9-10H,4-6,8H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 240.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141216188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).