3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

C19H23N7 — CID 121427637

IUPAC3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C19H23N7/c1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13/h8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNBOHDHNIXQYHSD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.90
Rot. Bonds6

About 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 121427637) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
PubChem CID121427637
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C19H23N7/c1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13/h8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNBOHDHNIXQYHSD-UHFFFAOYSA-N
XLogP3.90
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (CID 121427637) is 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is CCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.
What is the InChIKey of 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The InChIKey is NBOHDHNIXQYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13/h8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 349.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 121427637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).