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

C14H20N6 — CID 135876452

IUPAC3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3cnn(C(C)C)c3)nc21
InChIInChI=1S/C14H20N6/c1-5-6-19-14-12(10(4)18-19)16-13(17-14)11-7-15-20(8-11)9(2)3/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyVMQOOMNJDPEXDE-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.92
Rot. Bonds4

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

3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135876452) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135876452
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3cnn(C(C)C)c3)nc21
InChIInChI=1S/C14H20N6/c1-5-6-19-14-12(10(4)18-19)16-13(17-14)11-7-15-20(8-11)9(2)3/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyVMQOOMNJDPEXDE-UHFFFAOYSA-N
XLogP2.92
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]purin-6-amine
CID 90168751
1-ethyl-5-(5-methyl-1-propyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966217
1-ethyl-5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966314
1-isopropyl-5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135860479
1-isopropyl-3-methyl-5-(1-methyl-1H-imidazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888202
5-(1,2-dimethyl-1H-imidazol-5-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888559
5-(1,2-dimethyl-1H-imidazol-5-yl)-3-methyl-1-(3-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135914450
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966254
1-[(1S)-1-cyclopropylethyl]-5-(1-methylimidazol-2-yl)-4H-imidazo[4,5-d]pyrazole
CID 164638900
5'-methyl-1-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56861793
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-1-(1-ethylpropyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135876472
1-(3-cyclohexen-1-ylmethyl)-5-(1-ethyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135890741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole (CID 135876452) is 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole is CCCn1nc(C)c2[nH]c(-c3cnn(C(C)C)c3)nc21.
What is the InChIKey of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is VMQOOMNJDPEXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-6-19-14-12(10(4)18-19)16-13(17-14)11-7-15-20(8-11)9(2)3/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 272.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-propan-2-ylpyrazol-4-yl)-1-propyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135876452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).