2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine

C13H18N4 — CID 64772979

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
SMILESCC(C)n1ccc(CC(N)c2cccnc2)n1
InChIInChI=1S/C13H18N4/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h3-7,9-10,13H,8,14H2,1-2H3
InChIKeyDJTHHVQAHAEBMT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.10
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine

2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine (PubChem CID 64772979) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
PubChem CID64772979
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
SMILESCC(C)n1ccc(CC(N)c2cccnc2)n1
InChIInChI=1S/C13H18N4/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h3-7,9-10,13H,8,14H2,1-2H3
InChIKeyDJTHHVQAHAEBMT-UHFFFAOYSA-N
XLogP2.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 104990126
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine (CID 64772979) is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine is CC(C)n1ccc(CC(N)c2cccnc2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine?
The InChIKey is DJTHHVQAHAEBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)17-7-5-12(16-17)8-13(14)11-4-3-6-15-9-11/h3-7,9-10,13H,8,14H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine?
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 64772979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).