5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole

C19H21N7 — CID 135876453

IUPAC5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole
SMILESCn1nc(-c2cccnc2)c2[nH]c(-c3cn[nH]c3C3CCCCC3)nc21
InChIInChI=1S/C19H21N7/c1-26-19-17(16(25-26)13-8-5-9-20-10-13)22-18(23-19)14-11-21-24-15(14)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyMVGWMRXFPLUWRX-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.80
Rot. Bonds3

About 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole

5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135876453) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135876453
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole
SMILESCn1nc(-c2cccnc2)c2[nH]c(-c3cn[nH]c3C3CCCCC3)nc21
InChIInChI=1S/C19H21N7/c1-26-19-17(16(25-26)13-8-5-9-20-10-13)22-18(23-19)14-11-21-24-15(14)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyMVGWMRXFPLUWRX-UHFFFAOYSA-N
XLogP3.80
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole (CID 135876453) is 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole is Cn1nc(-c2cccnc2)c2[nH]c(-c3cn[nH]c3C3CCCCC3)nc21.
What is the InChIKey of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is MVGWMRXFPLUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-26-19-17(16(25-26)13-8-5-9-20-10-13)22-18(23-19)14-11-21-24-15(14)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole?
5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 347.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1H-pyrazol-4-yl)-1-methyl-3-pyridin-3-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).