5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

C19H19N7 — CID 66692231

IUPAC5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCn1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H19N7/c1-25-13-16(12-22-25)23-19-21-7-6-17(24-19)14-4-5-18(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24)
InChIKeyKFYPPJYKQDMGCV-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.09
Rot. Bonds4

About 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (PubChem CID 66692231) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
PubChem CID66692231
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCn1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H19N7/c1-25-13-16(12-22-25)23-19-21-7-6-17(24-19)14-4-5-18(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24)
InChIKeyKFYPPJYKQDMGCV-UHFFFAOYSA-N
XLogP3.09
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (CID 66692231) is 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is Cn1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1.
What is the InChIKey of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The InChIKey is KFYPPJYKQDMGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-25-13-16(12-22-25)23-19-21-7-6-17(24-19)14-4-5-18(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24).
What are the key properties of 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 66692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).