2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C13H13N5 — CID 60968717

IUPAC2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1cc(Nc2nc3c(cc2C#N)CCC3)cn1
InChIInChI=1S/C13H13N5/c1-18-8-11(7-15-18)16-13-10(6-14)5-9-3-2-4-12(9)17-13/h5,7-8H,2-4H2,1H3,(H,16,17)
InChIKeyWOZKWLMPAOHXLB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds2

About 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60968717) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60968717
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1cc(Nc2nc3c(cc2C#N)CCC3)cn1
InChIInChI=1S/C13H13N5/c1-18-8-11(7-15-18)16-13-10(6-14)5-9-3-2-4-12(9)17-13/h5,7-8H,2-4H2,1H3,(H,16,17)
InChIKeyWOZKWLMPAOHXLB-UHFFFAOYSA-N
XLogP1.92
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62903567
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944869
2-(3-bromo-5-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107583634
2-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
2-(4-bromo-3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510886
2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103586116
2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60969662
2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64916599
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(2,4-dichloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63517647
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65043382

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60968717) is 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cn1cc(Nc2nc3c(cc2C#N)CCC3)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is WOZKWLMPAOHXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-8-11(7-15-18)16-13-10(6-14)5-9-3-2-4-12(9)17-13/h5,7-8H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60968717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).