5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole

C18H21N7 — CID 135890708

IUPAC5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21
InChIInChI=1S/C18H21N7/c1-4-5-25-18-16(8-20-25)22-17(23-18)15-7-14(12(2)6-13(15)3)9-24-11-19-10-21-24/h6-8,10-11H,4-5,9H2,1-3H3,(H,22,23)
InChIKeySTSMWSRJRKJCFN-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.09
Rot. Bonds5

About 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole

5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135890708) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135890708
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21
InChIInChI=1S/C18H21N7/c1-4-5-25-18-16(8-20-25)22-17(23-18)15-7-14(12(2)6-13(15)3)9-24-11-19-10-21-24/h6-8,10-11H,4-5,9H2,1-3H3,(H,22,23)
InChIKeySTSMWSRJRKJCFN-UHFFFAOYSA-N
XLogP3.09
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135882188
3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706846
5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole
CID 135858758
1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
CID 135882175
(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95549265
N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3490704
1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
CID 135876501
[1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 56707020
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
(4R)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95132979
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole (CID 135890708) is 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole is CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21.
What is the InChIKey of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is STSMWSRJRKJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-4-5-25-18-16(8-20-25)22-17(23-18)15-7-14(12(2)6-13(15)3)9-24-11-19-10-21-24/h6-8,10-11H,4-5,9H2,1-3H3,(H,22,23).
What are the key properties of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 335.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135890708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).