1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole

C16H20N4 — CID 135908358

IUPAC1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)c1nn(C)c2nc([C@@H](C)c3ccccc3)[nH]c12
InChIInChI=1S/C16H20N4/c1-10(2)13-14-16(20(4)19-13)18-15(17-14)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyYXCYJXRGQVGVQR-NSHDSACASA-N
MW268.36 g/mol
LogP3.57
Rot. Bonds3

About 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole

1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135908358) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135908358
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)c1nn(C)c2nc([C@@H](C)c3ccccc3)[nH]c12
InChIInChI=1S/C16H20N4/c1-10(2)13-14-16(20(4)19-13)18-15(17-14)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyYXCYJXRGQVGVQR-NSHDSACASA-N
XLogP3.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175691003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135908358) is 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole is CC(C)c1nn(C)c2nc([C@@H](C)c3ccccc3)[nH]c12.
What is the InChIKey of 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is YXCYJXRGQVGVQR-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4/c1-10(2)13-14-16(20(4)19-13)18-15(17-14)11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole?
1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 268.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1S)-1-phenylethyl]-3-propan-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135908358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).