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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Related Compounds

3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62903567
5-nitro-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 103471615
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
2-chloro-5-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056312
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307

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).