N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine

C12H16N4 — CID 61272105

IUPACN-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnn(-c2ccccn2)c1
InChIInChI=1S/C12H16N4/c1-10(2)14-7-11-8-15-16(9-11)12-5-3-4-6-13-12/h3-6,8-10,14H,7H2,1-2H3
InChIKeyWQXACDOPFKQMCE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.77
Rot. Bonds4

About N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 61272105) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID61272105
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnn(-c2ccccn2)c1
InChIInChI=1S/C12H16N4/c1-10(2)14-7-11-8-15-16(9-11)12-5-3-4-6-13-12/h3-6,8-10,14H,7H2,1-2H3
InChIKeyWQXACDOPFKQMCE-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
CID 55111261
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
N-[[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62287555
N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
CID 115922504
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 94193067
3-[4-[(propan-2-ylamino)methyl]pyrazol-1-yl]benzonitrile
CID 61272507
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine (CID 61272105) is N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cnn(-c2ccccn2)c1.
What is the InChIKey of N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is WQXACDOPFKQMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(2)14-7-11-8-15-16(9-11)12-5-3-4-6-13-12/h3-6,8-10,14H,7H2,1-2H3.
What are the key properties of N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 61272105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).