1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole

C13H16N6 — CID 164638900

IUPAC1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESC[C@@H](C1CC1)n1ncc2[nH]c(-c3nccn3C)nc21
InChIInChI=1S/C13H16N6/c1-8(9-3-4-9)19-12-10(7-15-19)16-11(17-12)13-14-5-6-18(13)2/h5-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyOZWVYNZYZMFMPW-QMMMGPOBSA-N
MW256.31 g/mol
LogP2.13
Rot. Bonds3

About 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole

1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 164638900) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID164638900
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESC[C@@H](C1CC1)n1ncc2[nH]c(-c3nccn3C)nc21
InChIInChI=1S/C13H16N6/c1-8(9-3-4-9)19-12-10(7-15-19)16-11(17-12)13-14-5-6-18(13)2/h5-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyOZWVYNZYZMFMPW-QMMMGPOBSA-N
XLogP2.13
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole (CID 164638900) is 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole is C[C@@H](C1CC1)n1ncc2[nH]c(-c3nccn3C)nc21.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is OZWVYNZYZMFMPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N6/c1-8(9-3-4-9)19-12-10(7-15-19)16-11(17-12)13-14-5-6-18(13)2/h5-9H,3-4H2,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole?
1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 256.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 164638900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).