4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine

C13H18N4 — CID 146457338

IUPAC4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCCC(C)(C)n1cc(-c2ccnc(N)c2)cn1
InChIInChI=1S/C13H18N4/c1-4-13(2,3)17-9-11(8-16-17)10-5-6-15-12(14)7-10/h5-9H,4H2,1-3H3,(H2,14,15)
InChIKeyMEDHNQGLKZHDHT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds3

About 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine

4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 146457338) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID146457338
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCCC(C)(C)n1cc(-c2ccnc(N)c2)cn1
InChIInChI=1S/C13H18N4/c1-4-13(2,3)17-9-11(8-16-17)10-5-6-15-12(14)7-10/h5-9H,4H2,1-3H3,(H2,14,15)
InChIKeyMEDHNQGLKZHDHT-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine
CID 163793487
4-(3,4-diethylphenyl)pyridin-2-amine
CID 102821959
3-(1-tert-butylpyrazol-4-yl)aniline
CID 105468990
2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
CID 166393602
tert-butyl 4-[[4-(2-amino-4-pyridinyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166513769
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 157036389
4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
CID 171682647
4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine
CID 143489039
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine (CID 146457338) is 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine is CCC(C)(C)n1cc(-c2ccnc(N)c2)cn1.
What is the InChIKey of 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is MEDHNQGLKZHDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-13(2,3)17-9-11(8-16-17)10-5-6-15-12(14)7-10/h5-9H,4H2,1-3H3,(H2,14,15).
What are the key properties of 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine?
4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 146457338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).