1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine

C14H20N4 — CID 114198061

IUPAC1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCC(C)n1nccc1C(N)CCc1ccccn1
InChIInChI=1S/C14H20N4/c1-11(2)18-14(8-10-17-18)13(15)7-6-12-5-3-4-9-16-12/h3-5,8-11,13H,6-7,15H2,1-2H3
InChIKeyQRIUGAFCHYTIAN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine

1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 114198061) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID114198061
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCC(C)n1nccc1C(N)CCc1ccccn1
InChIInChI=1S/C14H20N4/c1-11(2)18-14(8-10-17-18)13(15)7-6-12-5-3-4-9-16-12/h3-5,8-11,13H,6-7,15H2,1-2H3
InChIKeyQRIUGAFCHYTIAN-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
CID 105109214
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148427
N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine (CID 114198061) is 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine is CC(C)n1nccc1C(N)CCc1ccccn1.
What is the InChIKey of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is QRIUGAFCHYTIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)18-14(8-10-17-18)13(15)7-6-12-5-3-4-9-16-12/h3-5,8-11,13H,6-7,15H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine?
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 114198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).