3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile

C12H12ClN5 — CID 107057605

IUPAC3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)n1cc(Nc2nccc(C#N)c2Cl)cn1
InChIInChI=1S/C12H12ClN5/c1-8(2)18-7-10(6-16-18)17-12-11(13)9(5-14)3-4-15-12/h3-4,6-8H,1-2H3,(H,15,17)
InChIKeyYVAAAJSKKVPDEX-UHFFFAOYSA-N
MW261.72 g/mol
LogP3.13
Rot. Bonds3

About 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile

3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile (PubChem CID 107057605) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
PubChem CID107057605
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)n1cc(Nc2nccc(C#N)c2Cl)cn1
InChIInChI=1S/C12H12ClN5/c1-8(2)18-7-10(6-16-18)17-12-11(13)9(5-14)3-4-15-12/h3-4,6-8H,1-2H3,(H,15,17)
InChIKeyYVAAAJSKKVPDEX-UHFFFAOYSA-N
XLogP3.13
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile (CID 107057605) is 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile is CC(C)n1cc(Nc2nccc(C#N)c2Cl)cn1.
What is the InChIKey of 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile?
The InChIKey is YVAAAJSKKVPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-8(2)18-7-10(6-16-18)17-12-11(13)9(5-14)3-4-15-12/h3-4,6-8H,1-2H3,(H,15,17).
What are the key properties of 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile has a molecular weight of 261.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).