N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine

C12H16N4 — CID 115977889

IUPACN-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
SMILESCC(CCn1cccn1)Nc1ccccn1
InChIInChI=1S/C12H16N4/c1-11(6-10-16-9-4-8-14-16)15-12-5-2-3-7-13-12/h2-5,7-9,11H,6,10H2,1H3,(H,13,15)
InChIKeyDMUURNQQWOXXEB-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.17
Rot. Bonds5

About N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine

N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine (PubChem CID 115977889) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
PubChem CID115977889
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
SMILESCC(CCn1cccn1)Nc1ccccn1
InChIInChI=1S/C12H16N4/c1-11(6-10-16-9-4-8-14-16)15-12-5-2-3-7-13-12/h2-5,7-9,11H,6,10H2,1H3,(H,13,15)
InChIKeyDMUURNQQWOXXEB-UHFFFAOYSA-N
XLogP2.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227340
N-(propan-2-yl)pyridin-2-amine
CID 2366450
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinylamine
CID 1473015
2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547126
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
CID 44547127

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine (CID 115977889) is N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine is CC(CCn1cccn1)Nc1ccccn1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine?
The InChIKey is DMUURNQQWOXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-11(6-10-16-9-4-8-14-16)15-12-5-2-3-7-13-12/h2-5,7-9,11H,6,10H2,1H3,(H,13,15).
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine?
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115977889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).