(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine

C18H24N6 — CID 97104052

IUPAC(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCc1cc(C[C@@H](C)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1
InChIInChI=1S/C18H24N6/c1-12(9-16-10-13(2)22-23-16)21-14(3)17-11-20-24(15(17)4)18-7-5-6-8-19-18/h5-8,10-12,14,21H,9H2,1-4H3,(H,22,23)/t12-,14+/m1/s1
InChIKeyQCYWKOBFIDECJS-OCCSQVGLSA-N
MW324.43 g/mol
LogP2.89
Rot. Bonds6

About (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine

(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 97104052) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine
PubChem CID97104052
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCc1cc(C[C@@H](C)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1
InChIInChI=1S/C18H24N6/c1-12(9-16-10-13(2)22-23-16)21-14(3)17-11-20-24(15(17)4)18-7-5-6-8-19-18/h5-8,10-12,14,21H,9H2,1-4H3,(H,22,23)/t12-,14+/m1/s1
InChIKeyQCYWKOBFIDECJS-OCCSQVGLSA-N
XLogP2.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine (CID 97104052) is (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine is Cc1cc(C[C@@H](C)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1.
What is the InChIKey of (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is QCYWKOBFIDECJS-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H24N6/c1-12(9-16-10-13(2)22-23-16)21-14(3)17-11-20-24(15(17)4)18-7-5-6-8-19-18/h5-8,10-12,14,21H,9H2,1-4H3,(H,22,23)/t12-,14+/m1/s1.
What are the key properties of (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine?
(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 324.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 97104052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).